Results for:
Species: Kluyveromyces marxianus

2-methoxy-4-prop-2-enylphenol

Mass-Spectra

Compound Details

Synonymous names
eugenol
97-53-0
4-Allyl-2-methoxyphenol
4-Allylguaiacol
Eugenic acid
Allylguaiacol
p-Eugenol
Caryophyllic acid
p-Allylguaiacol
2-Methoxy-4-prop-2-enylphenol
2-Methoxy-4-allylphenol
Phenol, 2-methoxy-4-(2-propenyl)-
Engenol
1,3,4-Eugenol
2-Methoxy-4-(2-propenyl)phenol
5-Allylguaiacol
Synthetic eugenol
1-Hydroxy-2-methoxy-4-allylbenzene
4-Allylcatechol-2-methyl ether
2-Methoxy-1-hydroxy-4-allylbenzene
4-Allyl-1-hydroxy-2-methoxybenzene
bioxeda
1-Hydroxy-2-methoxy-4-prop-2-enylbenzene
2-methoxy-4-(prop-2-en-1-yl)phenol
2-Hydroxy-5-allylanisole
FEMA No. 2467
4-Hydroxy-3-methoxy-1-allylbenzene
4-Hydroxy-3-methoxyallylbenzene
2-Methoxy-4-(2-propen-1-yl)phenol
Eugenol (natural)
Phenol, 4-allyl-2-methoxy-
4-Allylcatechol 2-methyl ether
NCI-C50453
1-allyl-4-hydroxy-3-methoxybenzene
1-Allyl-3-methoxy-4-hydroxybenzene
Caswell No. 456BC
FEMA Number 2467
2-Metoksy-4-allilofenol
CCRIS 306
FA 100
CHEBI:4917
HSDB 210
NSC 209525
Caryophillic acid
NSC-8895
EINECS 202-589-1
Eugenol (USP)
Eugenol [USP]
EPA Pesticide Chemical Code 102701
NSC-209525
UNII-3T8H1794QW
BRN 1366759
DTXSID9020617
Phenol, 2-methoxy-4-(2-propen-1-yl)-
AI3-00086
3T8H1794QW
MFCD00008654
naturel
CHEMBL42710
DTXCID90617
2-Methoxy-4-(3-propenyl)phenol
2-methoxy-4-prop-2-enyl-phenol
EC 202-589-1
3-(3-methoxy-4-hydroxyphenyl)propene
NCGC00091449-05
EUGENOL (IARC)
EUGENOL [IARC]
EUGENOL (II)
EUGENOL [II]
EUGENOL (MART.)
EUGENOL [MART.]
EUGENOL (USP-RS)
EUGENOL [USP-RS]
Eugenol [USAN]
WLN: 1U2R DQ CO1
EUGENOL (EP MONOGRAPH)
EUGENOL [EP MONOGRAPH]
EUGENOL (USP MONOGRAPH)
EUGENOL [USP MONOGRAPH]
CAS-97-53-0
2-Metoksy-4-allilofenol [Polish]
SR-05000002043
allylguaicol
natural
naturale
oogenol
phenylpropanoid
redistillation
Eugenolum
fractionation,
animal feed
water white
Dentek Eugenol
alim ue
fami qs
Teething Gel
ugenol,
eugenic acid,
clove,
Isolate,
US Pharmacopoeia
Eugenol BP
flash distillation
clove oil fraction
Nuby Teething Gel
Eugenol,(S)
1-hydroxy-4-allyl-2-methoxybenzene
Red Cross Toothache
British Pharmacopoeia
clove oil terpeneless
eugenol for synthesis
Eugenol1518
4-allyl-2methoxyphenol
3s0e
EFEUF,
EUGENOL [VANDF]
EUGENOL [FHFI]
EUGENOL [HSDB]
EUGENOL [INCI]
Marshall Toothache Drops
4-allyl 2-methoxyphenol
EUGENOL [FCC]
EUGENOL [MI]
Spectrum2_001264
Spectrum3_000646
Spectrum4_001783
Spectrum5_000425
EUGENOL [WHO-DD]
4-allyl-2-methoxy-Phenol
bmse010053
Epitope ID:114091
Eugenol, puriss., 98%
AnaDent Childrens Kanka Gel
Eugenol Toothache Medication
SCHEMBL20361
BSPBio_002251
KBioGR_002327
MLS000028901
SEUGE0001
BIDD:ER0696
DivK1c_000692
SPECTRUM1500296
SPBio_001228
GTPL2425
HMS502C14
KBio1_000692
KBio3_001471
Eugenol, ReagentPlus(R), 99%
NSC8895
4-(2-Propenyl)-2-methoxyphenol
Eugenol, natural, >=98%, FG
NINDS_000692
Eugenol, >=98%, FCC, FG
HMS1920O08
HMS2091F09
Pharmakon1600-01500296
2-methoxy-4-(2-propenyl)-phenol
HY-N0337
Tox21_111134
Tox21_202040
Tox21_300105
BBL027721
BDBM50164168
CCG-38827
NSC209525
NSC757030
s4706
STL371304
Eugenol, tested according to Ph.Eur.
AKOS000121354
Tox21_111134_1
CS-7807
DB09086
FS-2702
NSC-757030
SDCCGMLS-0066578.P001
IDI1_000692
USEPA/OPP Pesticide Code: 102701
Eugenol 1000 microg/mL in Acetonitrile
NCGC00091449-01
NCGC00091449-02
NCGC00091449-03
NCGC00091449-04
NCGC00091449-06
NCGC00091449-07
NCGC00091449-08
NCGC00091449-10
NCGC00253915-01
NCGC00259589-01
AC-34149
Eugenol, Vetec(TM) reagent grade, 98%
SMR000059114
2-METHOXY-4-(2'-PROPENYL)PHENOL
SBI-0051381.P003
DB-261256
Eugenol, PESTANAL(R), analytical standard
A0232
NS00003629
EN300-16622
D04117
AB00051992_02
A845719
Eugenol, primary pharmaceutical reference standard
Q423357
Eugenol, certified reference material, TraceCERT(R)
Q-201105
SR-05000002043-1
SR-05000002043-2
BRD-K32977963-001-01-9
BRD-K32977963-001-03-5
Z56347226
EUGENOL (CONSTITUENT OF HOLY BASIL LEAF) [DSC]
Eugenol, European Pharmacopoeia (EP) Reference Standard
F0001-2306
2-methoxy-4-(prop-2-en-1-yl)phenol4-allyl-2-methoxyphenol
EUGENOL (CONSTITUENT OF CINNAMOMUM CASSIA BARK) [DSC]
EUGENOL (CONSTITUENT OF CINNAMOMUM VERUM BARK) [DSC]
Eugenol, United States Pharmacopeia (USP) Reference Standard
Eugenol, Pharmaceutical Secondary Standard; Certified Reference Material
InChI=1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H
Microorganism:

Yes

IUPAC name2-methoxy-4-prop-2-enylphenol
SMILESCOC1=C(C=CC(=C1)CC=C)O
InchiInChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
FormulaC10H12O2
PubChem ID3314
Molweight164.2
LogP2
Atoms12
Bonds3
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic compounds ethers phenols terpenes benzenoids phenylpropenes
CHEBI-ID4917
Supernatural-IDSN0332901

mVOC Specific Details

Boiling Point
DegreeReference
225 °C peer reviewed
Volatilization
The Henry's Law constant for eugenol is estimated as 1.92X10-6 atm-cum/mole(SRC) derived from its extrapolated vapor pressure, 0.0221 mm Hg at 25deg C(1), and water solubility, 2460 mg/L at 25 deg C(2). This Henry's Law constant indicates that eugenol is expected to volatilize slowly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 25 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 183 days(SRC). Eugenol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). A theoretical model of soil volatilization predicts that 4-33% of eugenol applied to a soil surface will volatilize during the first 10 days(4); the fastest volatilization rates occur with lowest soil organic content and moisture content(4). Although eugenol's vapor pressure might suggest that volatilization from dry soil will not occur, the compound is used in fragrance and odorant applications that result in inhalation exposure(SRC); therefore, volatilization from dry soil is expected to occur(SRC).
Literature: (1) Van Roon A et al; Chemosphere 61: 599-609 (2005) (2) Yalkowky SH et al; Handbook of Aqueous Solubility Data 2nd ed., Boca Raton, FL: CRC Press, p. 687(2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Van Roon A et al; Chemosphere 61: 129-138 (2005)
Soil Adsorption
The Koc of eugenol is estimated as 340(SRC), using a log Kow of 2.49(1) and a regression-derived equation(2). According to a classification scheme(3), these estimated Koc values suggest that eugenol is expected to have moderate to lowmobility in soil.
Literature: (1) Dias NC et al; Analyst 128: 427-433 (2003) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011.Available from, as of Jun 26, 2012: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.0221 mm Hg at 25 deg CVan Roon A et al; Chemosphere 61: 599-609 (2005)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLactobacillus Plantarumginkgo biloba kernel juicetriple quadrupole GC-MSno
EukaryotaAntrodia CinnamomeaPDAGC/MSyes
ProkaryotaLactiplantibacillus Plantarumfermentation of ginkgo kernel juiceGC-IMSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno


1-methyl-3-propan-2-ylbenzene

Mass-Spectra

Compound Details

Synonymous names
M-CYMENE
535-77-3
1-Isopropyl-3-methylbenzene
3-Isopropyltoluene
m-Isopropyltoluene
m-Cymol
m-Methylisopropylbenzene
beta-Cymene
1-Methyl-3-isopropylbenzene
Benzene, 1-methyl-3-(1-methylethyl)-
1-Methyl-3-(1-methylethyl)benzene
1-methyl-3-propan-2-ylbenzene
meta-cymene
NSC 73975
HSDB 3428
.beta.-Cymene
EINECS 208-617-9
3-Methyl-1-isopropylbenzene
UNII-10ZH8R921S
BRN 1851357
10ZH8R921S
NSC-73975
CYMENE, M-
1-Methyl-3-(1-methylethyl)-benzene
DTXSID2060206
4-05-00-01058 (Beilstein Handbook Reference)
m-cymene [UN2046] [Flammable liquid]
m-Cymene, 99%
3-Methylisopropylbenzene
m-cymene [UN2046] [Flammable liquid]
M-CYMENE [HSDB]
M-CYMENE [MI]
m-Mentha-1,3,5-triene
m-Cymene, analytical standard
1-Methyl-3-isopropyl benzene
DTXCID9041449
1-methyl-3-(propan-2-yl)benzene
NSC73975
MFCD00008891
1-methyl-3-(1-methylethyl) benzene
AKOS005110997
MCULE-5480201967
1-Methyl-3-(1-methylethyl)benzene, 9CI
C0798
CS-0331846
NS00020834
T71023
Q27251197
Microorganism:

Yes

IUPAC name1-methyl-3-propan-2-ylbenzene
SMILESCC1=CC(=CC=C1)C(C)C
InchiInChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3
FormulaC10H14
PubChem ID10812
Molweight134.22
LogP4
Atoms10
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationaromatic compounds alkylbenzenes benzenoids
Supernatural-IDSN0426791

mVOC Specific Details

Boiling Point
DegreeReference
175 deg CHaynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 94th Edition. CRC Press LLC, Boca Raton: FL 2013-2014, p. 3-334
Volatilization
The Henry's Law constant for m-cymene is estimated as 7.15X10-3 atm-cu m/mole(SRC) derived from its vapor pressure, 1.72 mm Hg(1), and water solubility, 42.5 mg/L(2). This Henry's Law constant indicates that m-cymene is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 3.5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 4.6 days(SRC). m-Cymene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of m-cymene from dry soil surfaces may exist based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989) (2) Lun R et al; J Chem Eng Data 42: 951-53 (1997) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of m-cymene can be estimated to be 1120(SRC). According to a classification scheme(2), this estimated Koc value suggests that m-cymene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 6, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.72 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaHypoxylon AnthochroumNAMacías-Rubalcava et al. 2018
EukaryotaHypoxylon Anthochroumnaendophytic in Bursera lancifoliaUlloa-Benítez et al. 2016
ProkaryotaPseudomonas Brassicacearumreduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cellsrhizosphere of bean plants, southern ItalyGiorgio et al. 2015
EukaryotaFusarium GraminearumBallot et al. 2023
EukaryotaKluyveromyces MarxianusJi et al. 2024
EukaryotaSaccharomyces CerevisiaeJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes
EukaryotaHypoxylon AnthochroumPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSno
ProkaryotaPseudomonas BrassicacearumKing's B AgarSPME-GC/MSno
EukaryotaFusarium Graminearumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno


1-methyl-2-propan-2-ylbenzene

Mass-Spectra

Compound Details

Synonymous names
O-CYMENE
2-Isopropyltoluene
527-84-4
o-Cymol
1-Isopropyl-2-methylbenzene
o-Isopropyltoluene
CYMENE, ORTHO
1-Methyl-2-isopropylbenzene
1-methyl-2-propan-2-ylbenzene
1-Methyl-2-(1-methylethyl)benzene
ortho-cymene
1-Methyl-2-isopropylbenzol
Benzene, methyl(1-methylethyl)-
Benzene, 1-methyl-2-(1-methylethyl)-
HSDB 3427
EINECS 208-426-0
NSC 73976
BRN 1850838
UNII-2T13HF3266
NSC-73976
2T13HF3266
1-methyl,2-n-isopropylbenzene
25155-15-1
1-(1-methylethyl)-2-methylbenzene
4-05-00-01057 (Beilstein Handbook Reference)
1-Methyl-2-(1-methylethyl)-benzene
2-Isopropyltoluene 100 microg/mL in Acetonitrile
isopropyl toluene
cymene (ortho-)
o-Cymene, 98%
2-Methylisopropylbenzene
O-ISOPROPELTOLUENE
O-CYMENE [MI]
O-Mentha-1,3,5-triene
DTXSID1052165
CHEBI:89263
1-methyl-2-(propan-2-yl)benzene
NSC73976
MFCD00008888
AKOS015840505
UN 2046
BS-52939
1-Methyl-2-(1-methylethyl)benzene, 9CI
o-Cymene [UN2046] [Flammable liquid]
CS-0368263
NS00010825
T71005
Q27161449
Microorganism:

Yes

IUPAC name1-methyl-2-propan-2-ylbenzene
SMILESCC1=CC=CC=C1C(C)C
InchiInChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3
FormulaC10H14
PubChem ID10703
Molweight134.22
LogP3.4
Atoms10
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationaromatic compounds alkylbenzenes benzenoids
CHEBI-ID89263
Supernatural-IDSN0422011

mVOC Specific Details

Boiling Point
DegreeReference
178 deg CHaynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 94th Edition. CRC Press LLC, Boca Raton: FL 2013-2014, p. 3-334
Volatilization
The Henry's Law constant for o-cymene is estimated as 0.011 atm-cu m/mole(SRC) derived from its vapor pressure, 1.5 mm Hg(1), and water solubility, 23.29 mg/L(2). This Henry's Law constant indicates that o-cymene is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 3.5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 4.6 days(SRC). o-Cymene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). o-Cymene is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Okouchi S et al; Environ Int 18: 249-61 (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of o-cymene can be estimated to be 1140(SRC). According to a classification scheme(2), this estimated Koc value suggests that o-cymene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 5, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.5 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
Massbank-Links

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBrianSPME/GC-MSno
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaSerratia Proteamaculansn/an/ano
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaFusarium Culmorumwater agar supplied with artificial root exudatesGC/MS-Q-TOFno
EukaryotaSaccharomyces Cerevisiaegrape juiceLC-15C HPLCno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
ProkaryotaKlebsiella Oxytocatryptone soya broth (TSB) mediaTenax/GC/MSno


1,4-xylene

Mass-Spectra

Compound Details

Synonymous names
P-XYLENE
1,4-Dimethylbenzene
Para-Xylene
106-42-3
1,4-Xylene
p-Methyltoluene
p-Dimethylbenzene
p-Xylol
Benzene, 1,4-dimethyl-
4-Xylene
4-Methyltoluene
Chromar
Scintillar
1,4-Dimethylbenzol
paraxylene
CCRIS 910
NSC 72419
HSDB 136
EINECS 203-396-5
UNII-6WAC1O477V
6WAC1O477V
DTXSID2021868
CHEBI:27417
AI3-52255
NSC-72419
68650-36-2
CHEMBL31561
p-Xylene-alpha,alpha'-13C2
DTXCID701868
EC 203-396-5
MFCD00008556
Xylene, p-
Benzene, p-dimethyl-
p-Xylenes
Xylene, p-isomer
PXY
p-Xylol (DOT)
1,4-dimethyl benzene
1,4-dimethyl-benzene
P-XYLENE [MI]
4-XYLENE [HSDB]
bmse000834
p-Xylene, analytical standard
BENZENE,1,4-DIMETHYL
WLN: 1R D1
p-Xylene, anhydrous, >=99%
p-Xylene, for synthesis, 99%
DTXSID90178045
187l
p-Xylene, for HPLC, >=99%
p-Xylene, ReagentPlus(R), 99%
NSC72419
p-Xylene 10 microg/mL in Methanol
Tox21_201113
BDBM50008567
Benzene, 1,2(or 1,4)-dimethyl-
c0083
STL264212
AKOS000121124
MCULE-3769448716
p-Xylene 5000 microg/mL in Methanol
p-Xylene, purum, >=98.0% (GC)
NCGC00091661-01
NCGC00091661-02
NCGC00258665-01
68411-39-2
CAS-106-42-3
p-Xylene, SAJ first grade, >=99.0%
p-Xylene [UN1307] [Flammable liquid]
p-Xylene, SAJ special grade, >=99.0%
NS00001217
S0649
X0014
X0044
EN300-24549
p-Xylene, puriss. p.a., >=99.0% (GC)
C06756
J-001588
J-524068
Q3314420
F0001-0120
Z199056432
InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H
p-Xylene, Pharmaceutical Secondary Standard; Certified Reference Material
136777-61-2
25951-90-0
Microorganism:

Yes

IUPAC name1,4-xylene
SMILESCC1=CC=C(C=C1)C
InchiInChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
FormulaC8H10
PubChem ID7809
Molweight106.16
LogP3.2
Atoms8
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationaromatic compounds alkylbenzenes benzenoids
CHEBI-ID27417
Supernatural-IDSN0378172

mVOC Specific Details

Boiling Point
DegreeReference
138.3 °C peer reviewed
Volatilization
The Henry's Law constant for 4-xylene is measured as 6.90X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 4-xylene is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.1 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.1 days(SRC). 4-Xylene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 4-Xylene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8.84 mm Hg(3).
Literature: (1) Foster P et al; Fresen Environ Bull 3: 318-323 (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
Soil Adsorption
Koc values of 246 and 540 have been measured for 4-xylene in silt and sandy loam soils respectively(1). A Koc value of 204 was measured for 4-xylene using sandy aquifer materials(2). A median experimental Koc value of 295 has also been reported(3). According to a classification scheme(4), these Koc values suggest that 4-xylene is expected to have moderate to low mobility in soil. A soil leaching column study estimated a 4-xylene Koc of 331 using a chromatographic methodology(5). Another soil column leaching study estimated a Koc range of 118-298 based on HPLC measurement(6).
Literature: (1) Walton BT et al; J Environ Qual 21: 552-558 (1992) (2) Abdul AS et al; Hazard Waste & Hazard Mater 4: 211-22 (1987) (3) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (Supporting information) (2006) (4) Swann RL et al; Res Rev 85: 17-28 (1983) (5) Xu F et al; J Environ Qual 30: 1618-1623 (2001) (6) ECHA; Search for Chemicals. p-Xylene (CAS 106-42-3) Registered Substances Dossier. European Chemical Agency; Available from, as of June 27, 2016: http://echa.europa.eu/
Vapor Pressure
PressureReference
8.84 mm Hg at 25 deg CChao J et al; J Phys Chem Ref Data 12: 1033-66 (1983)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Subtilisisolate from rhizosphere of potato in Shandong and Hebei Province in ChinaZhang et al. 2020
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaEscherichia ColiNACeleiro et al. 2020
ProkaryotaProteus MirabilisNACeleiro et al. 2020
ProkaryotaPseudomonas AeruginosaNACeleiro et al. 2020
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
ProkaryotaAzospirillum Brasilensepromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
ProkaryotaBacillus Pumiluspromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
ProkaryotaEscherichia Colipromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
ProkaryotaBurkholderia Tropican/aNATenorio-Salgado et al. 2013
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
EukaryotaTrichoderma Pseudokoningiin/aNAWheatley et al. 1997
EukaryotaPaecilomyces Variotiinacompost, soils, food productsSunesson et al. 1995
ProkaryotaSerratia Proteamaculansn/aNAErcolini et al. 2009
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaHanseniaspora UvarumNANAGe et al. 2021
EukaryotaSaccharomycopsis CrataegensisNANAGe et al. 2021
EukaryotaMetschnikowia PulcherrimaNANAGe et al. 2021
EukaryotaPichia KluyveriNANAGe et al. 2021
EukaryotaRhodosporidiobolus LusitaniaeNANAGe et al. 2021
EukaryotaKluyveromyces MarxianusJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSyes
ProkaryotaStaphylococcus EpidermidisBHI media, MHB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaEscherichia ColiSPME/GC-MSno
ProkaryotaProteus MirabilisSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaSPME/GC-MSno
EukaryotaTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
ProkaryotaAzospirillum BrasilenseTSASPME-GCno
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaEscherichia ColiTSASPME-GCno
ProkaryotaBurkholderia TropicaPotato dextrose agarHeadspace trapping/ GC-MSno
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
EukaryotaTrichoderma PseudokoningiiMalt extractGC/MSno
EukaryotaPaecilomyces VariotiiDG18,MEAGC/MSno
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaCarnobacterium Divergensn/an/ano
ProkaryotaPseudomonas Fragin/an/ano
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaHanseniaspora Uvarumgrape juiceLC-15C HPLCno
EukaryotaSaccharomycopsis Crataegensisgrape juiceLC-15C HPLCno
EukaryotaMetschnikowia Pulcherrimagrape juiceLC-15C HPLCno
EukaryotaPichia Kluyverigrape juiceLC-15C HPLCno
EukaryotaRhodosporidiobolus Lusitaniaegrape juiceLC-15C HPLCno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno


2-phenylethanol

Mass-Spectra

Compound Details

Synonymous names
2-PHENYLETHANOL
Phenethyl alcohol
Phenylethyl alcohol
60-12-8
Benzeneethanol
Phenylethanol
Benzyl carbinol
Phenethanol
2-Phenylethyl alcohol
2-PHENYL-ETHANOL
beta-Phenylethanol
2-Phenethyl alcohol
Benzylmethanol
2-Phenylethan-1-Ol
Benzylcarbinol
Methanol, benzyl-
2-Hydroxyethylbenzene
1-Phenyl-2-ethanol
Ethanol, 2-phenyl-
FEMA No. 2858
2-PEA
Benzenethanol
Phenethylalcohol
Phenyl ethyl alcohol
beta-PEA
beta-Phenylethyl alcohol
beta-Hydroxyethylbenzene
Caswell No. 655C
beta-Fenylethanol
FEMA Number 2858
1321-27-3
beta-Fenethylalkohol
Phenethyl alcohol (natural)
beta-Phenethyl alcohol
HSDB 5002
2-Phenethanol
.beta.-Hydroxyethylbenzene
.beta.-Phenylethyl alcohol
Hydroxyethylbenzene
EINECS 200-456-2
UNII-ML9LGA7468
MFCD00002886
PhenethylAlcohol-d5
EPA Pesticide Chemical Code 001503
NSC 406252
NSC-406252
BRN 1905732
.beta.-Phenylethanol
ML9LGA7468
.beta.-PEA
DTXSID9026342
CHEBI:49000
AI3-00744
(2-Hydroxyethyl)benzene
.beta.-Phenethyl alcohol
Phenylethyl alcohol [USP]
.beta.-(hydroxyethyl)benzene
DTXCID206342
EC 200-456-2
4-06-00-03067 (Beilstein Handbook Reference)
NSC406252
NCGC00166215-02
Phenylethyl alcohol (USP)
Ethanol, phenyl-
PHENYLETHYL ALCOHOL (II)
PHENYLETHYL ALCOHOL [II]
PHENETHYL ALCOHOL (MART.)
PHENETHYL ALCOHOL [MART.]
Phenyl Ethanol(Natural)
2 Phenylethanol
PHENYLETHYL ALCOHOL (USP-RS)
PHENYLETHYL ALCOHOL [USP-RS]
beta-Fenylethanol [Czech]
2-phenyl ethanol
Carbinol, Benzyl
beta Phenylethanol
CAS-60-12-8
Alcohol, Phenethyl
beta-Fenethylalkohol [Czech]
PEL
SMR000059156
PHENYLETHYL ALCOHOL (USP MONOGRAPH)
PHENYLETHYL ALCOHOL [USP MONOGRAPH]
Alcohol, Phenylethyl
benzene-ethanol
Mellol
phenyl-ethanol
Benzyl-Methanol
2-PhenyIethanol
phenylethyl-alcohol
.beta.-Phenethanol
HY1
.beta.-Fenylethanol
b-Hydroxyethylbenzene
Benzyl ethyl alcohol
2-phenyl-1-ethanol
Benzeneethanol, 9CI
2-phenylethane-1-ol
betaphenylethyl alcohol
.beta.-Fenethylalkohol
2-Phenylethanol, USP
METHANOL, BENZYL
A-PEA
beta -hydroxyethylbenzene
2-Phenylethanol, 99%
.beta.-P.E.A.
(BETA-PEA)
Phenylethyl alcohol, USAN
bmse000659
Phenylethyl, beta- alcohol
2-(2-Hydroxyethyl)benzene
SCHEMBL1838
WLN: Q2R
MLS001066349
MLS001336026
FEMA NUMBER 2858.
PHENETHYL ALCOHOL [MI]
Phenethyl alcohol, 8CI, BAN
CHEMBL448500
beta-(HYDROXYETHYL)BENZENE
PHENETHYL ALCOHOL [FCC]
PHENYLETHYL, B- ALCOHOL
PHENETHYL ALCOHOL [INCI]
BDBM85807
FEMA 2858
HMS2093H05
HMS2233H06
HMS3374P04
Pharmakon1600-01505398
PHENYLETHYL ALCOHOL [FHFI]
PHENYLETHYL ALCOHOL [HSDB]
PHENETHYL ALCOHOL [WHO-DD]
BCP32115
CS-B1821
HY-B1290
NSC_6054
Tox21_113544
Tox21_201322
Tox21_303383
BBL036905
NSC759116
s3703
STL281950
2-Phenylethanol, >=99.0% (GC)
AKOS000249688
Tox21_113544_1
CCG-213419
DB02192
MCULE-8439044075
NSC-759116
CAS_60-12-8
Phenethyl alcohol, >=99%, FCC, FG
NCGC00166215-01
NCGC00166215-03
NCGC00166215-05
NCGC00257347-01
NCGC00258874-01
AC-18484
SBI-0206858.P001
NS00004212
P0084
EN300-19347
C05853
D00192
D70868
Phenethyl alcohol, natural, >=99%, FCC, FG
AB00698274_05
A832606
Q209463
SR-01000763553
Phenylethyl alcohol;Phenethyl alcohol;Benzeneethanol
Q-200318
SR-01000763553-2
0DE4CADC-AB8A-4038-BD6F-EBD009885652
F0001-1575
Z104473586
2-phenylethanol;2-Phenylethyl alcohol;Benzeneethanol;Phenylethanol
InChI=1/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H
Phenylethyl alcohol, United States Pharmacopeia (USP) Reference Standard
Phenylethyl Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material
19601-20-8
Microorganism:

Yes

IUPAC name2-phenylethanol
SMILESC1=CC=C(C=C1)CCO
InchiInChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
FormulaC8H10O
PubChem ID6054
Molweight122.16
LogP1.4
Atoms9
Bonds2
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic alcohols alcohols aromatic compounds benzenoids
CHEBI-ID49000
Supernatural-IDSN0418058

mVOC Specific Details

Boiling Point
DegreeReference
218.2 °C peer reviewed
Volatilization
The Henry's Law constant for 2-phenylethanol estimated from its vapor pressure, 0.0868 mm Hg at 25 deg C(1), and water solubility, 16,000 mg/L(2), is 1.5X10-7 atm-cu m/mol(SRC). Using this value for the Henry's Law constant, one can estimate a volatilization half-life of 2-phenylethanol in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s is 46.5 days(3,SRC). 2-Phenylethanol's relatively low Henry's Law constant and vapor pressure suggest that volatilization from moist and dry soil surfaces will be minimal(SRC).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989) (2) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 15 (1982)
Soil Adsorption
Using an estimation method based on molecular connectivity indices(1), the Koc for 2-phenylethanol is estimated to be 29(SRC). According to a suggested classification scheme(2), this Koc value suggests that 2-phenylethanol will have very high mobility in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 28: 459-65 (1992) (2) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
8.68X10-2 mm Hg @ 25 deg C /from experimentally derived coefficients/Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaKlebsiella PneumoniaeNANAAhmed et al. 2023
ProkaryotaStaphylococcus AureusNANAAhmed et al. 2023
ProkaryotaStaphylococcus AureusNANAAhmed et al. 2023
EukaryotaCandida DubliniensisNANAMartins et al. 2007
EukaryotaCandida AlbicansNANAMartins et al. 2007
EukaryotaCandida ParapsilosisNANAFitzgerald et al. 2022
EukaryotaCandida AlbicansNANAFitzgerald et al. 2022
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
EukaryotaPenicillium ChrysogenumNANACosta et al. 2016
ProkaryotaEscherichia ColiNANADevaraj et al. 2018
ProkaryotaEscherichia ColiNANADixon et al. 2022
EukaryotaCandida AlbicansNANAPerl et al. 2011
ProkaryotaProteus MirabilisNANAJünger et al. 2012
ProkaryotaStreptococcus AgalactiaeNANAJünger et al. 2012
ProkaryotaMycobacterium BovisNANAMcNerney et al. 2012
ProkaryotaEnterobacter CloacaeNALawal et al. 2018
EukaryotaPythium OligandrumN/APythium oligandrum GAQ1 strain was isolated from soil from a field where infected ginger was growing in Laiwu district, Jinan City, Shandong Province, China. China General Microbiological Culture Collection Center (CGMCC) deposit number No. 17470.Sheikh et al. 2023
ProkaryotaCorynebacterium Accolensclinical isolateLemfack et al. 2016
ProkaryotaCorynebacterium Jeikeiumclinical isolateLemfack et al. 2016
ProkaryotaCorynebacterium Minutissimumclinical isolate,trunk of adult femaleLemfack et al. 2016
ProkaryotaCorynebacterium Striatumclinical isolateLemfack et al. 2016
ProkaryotaStaphylococcus Schleifericlinical isolateLemfack et al. 2016
ProkaryotaStaphylococcus SciuriSouthernflying squirrel skinLemfack et al. 2016
ProkaryotaStaphylococcus Sciuriclinical isolateLemfack et al. 2016
ProkaryotaErwinia AmylovoraNACellini et al. 2018
ProkaryotaBacillus AcidicelerNAMéndez-Bravo et al. 2018
EukaryotaFusarium CulmorumNASchmidt et al. 2018
EukaryotaHypoxylon InvadensNADickschat et al. 2018
EukaryotaSaccharomyces CerevisiaeNACaballero Ortiz et al. 2018
ProkaryotaShigella SonneiChina Center of Industrial Culture collectionWang et al. 2018
ProkaryotaVibrio ParahaemolyticusChina Center of Industrial Culture collectionWang et al. 2018
EukaryotaAspergillus FischeriNADickschat et al. 2018
EukaryotaHypoxylon AnthochroumNAMacías-Rubalcava et al. 2018
EukaryotaFusarium Oxysporum0NALi et al. 2018
EukaryotaTrichoderma Harzianum0NALi et al. 2018
ProkaryotaBacillus Sp.antifungal activity against Fusarium solaniRhizosphere soil of avocadoGuevara-Avendaño et al. 2019
EukaryotaAureobasidium PullulansNAContarino et al. 2019
EukaryotaMetschnikowia PulcherrimaNAContarino et al. 2019
EukaryotaSaccharomyces CerevisiaeNAContarino et al. 2019
EukaryotaWickerhamomyces AnomalusNAContarino et al. 2019
EukaryotaCandida SakeKing George Island, South Shetland Islands, AntarcticaArrarte et al. 2017
EukaryotaFusarium OxysporumNALi et al. 2018
EukaryotaTrichoderma HarzianumNALi et al. 2018
ProkaryotaProteus Vulgarisrhizosphere of lahophyte plant, Glasswort (Salicornia herbacea L.)Yu et al. 2013
ProkaryotaBacillus SubtilisZhang et al. 2021
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
ProkaryotaPseudomonas Pseudoalcaligenespromotes the growth of Zea mays L. and confer the resistance to drought stress in this maizeApplied Microbiology and Biotechnology lab, Department of Biosciences, Comsats University IslamabadYasmin et al. 2021
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
ProkaryotaEscherichia ColiLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaStenotrophomonas Maltophiliaantifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)shoots of tomato plants (Elpida F1, Enza Zaden)López et al. 2021
ProkaryotaStaphylococcus Pasteuriantifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)fruits of tomato plants (Elpida F1, Enza Zaden)López et al. 2021
ProkaryotaArthrobacter Ureafaciensantifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)leaves of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spotLópez et al. 2021
ProkaryotaPantoea Vagansantifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)leaves of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spotLópez et al. 2021
ProkaryotaArthrobacter Phenanthrenivoransantifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)shoots of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spotLópez et al. 2021
ProkaryotaRahnella Aquatilisantifungal activity on the mycelial growth of Colletotrichum gloeosporioidesisolate from the rhizosphere soil of a 28-year-old Pinus massoniana in Nanning, Guangxi; stored in the typical Culture Preservation Center of ChinaKong et al. 2020
EukaryotaGrosmannia ClavigeraNorthern Forestry Centre Culture Collection (Edmonton, Alberta), originally cultured from the phloem of MPB-infested lodgepole pine trees near Banff, AlbertaWang et al. 2020
EukaryotaOphiostoma Ipsisolated from bark beetle galleries in lodgepole pineWang et al. 2020
ProkaryotaStreptomyces Philanthiantifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4NABoukaew and Prasertsan 2020
ProkaryotaCoraliitalea Coraliiisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
EukaryotaMalassezia GlobosaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaMalassezia RestrictaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaMalassezia SympodialisFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
ProkaryotaBacillus Cereuspromote fungal hypocrellin A production in Shiraia sp. S9isolate and deposite at the China General Microbiological Culture Collection Center (CGMCC)Xu et al. 2022
EukaryotaMetschnikowia Reukaufiiinhibitory and promoting effects on the growth of different microorganismsisolate from Aconitum piepunense, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaDebaryomyces Hanseniiinhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaMrakia Blollopisinhibitory and promoting effects on the growth of different microorganismsisolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaTausonia Pullulansinhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaCystofilobasidium Sp.inhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaCystofilobasidium Capitatuminhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaGoffeauzyma Gilvescensinhibitory and promoting effects on the growth of different microorganismsisolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaRhodotorula Mucilaginosainhibitory and promoting effects on the growth of different microorganismsisolate from Dryas octopetala, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaSporidiobolus Salmonicolorinhibitory and promoting effects on the growth of different microorganismsisolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaCystobasidium Laryngisinhibitory and promoting effects on the growth of different microorganismsisolate from Cerasticum arcticum, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
ProkaryotaStaphylococcus AureusNational collection of type cultures (NCTC) UKTait et al. 2014
ProkaryotaStaphylococcus Aureusn/aNAPreti et al. 2009
EukaryotaHypoxylon AnthochroumNAUlloa-Benítez et al. 2016
EukaryotaFusarium Sp.NATakeuchi et al. 2012
EukaryotaAspergillus Sp.NASeifert and King 1982
EukaryotaPenicillium Sp.NABrock and Dickschat 2013
EukaryotaTrichoderma Sp.NAStoppacher et al. 2010
EukaryotaChaetomium GlobosumNAKikuchi et al. 1983
EukaryotaLasiodiplodia TheobromaeNAMatsumoto and Nago 1994
EukaryotaTuber Sp.NASplivallo et al. 2007
ProkaryotaMyxobacterium Sp.n/aNASchulz and Dickschat 2007
ProkaryotaRoseobacter Claden/aNASchulz and Dickschat 2007
ProkaryotaStaphylococcus Xylosusn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.n/aNASchulz and Dickschat 2007
ProkaryotaCitrobacter Sp.n/aNASchulz and Dickschat 2007
ProkaryotaEnterobacter Sp.n/aNASchulz and Dickschat 2007
ProkaryotaEscherichia Sp.n/aNASchulz and Dickschat 2007
ProkaryotaKlebsiella Sp.n/aNASchulz and Dickschat 2007
ProkaryotaArctic Bacteriumn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Albidoflavusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Sp.n/aNASchöller et al. 2002
ProkaryotaStreptomyces Antibioticusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Diastatochromogenesn/aNASchöller et al. 2002
ProkaryotaStreptomyces Griseusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hirsutusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hygroscopicusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Murinusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Olivaceusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Thermoviolaceusn/aNASchöller et al. 2002
ProkaryotaStreptomycetes Sp.n/aNAStritzke et al. 2004
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/aNADickschat et al. 2005_3
ProkaryotaLoktanella Sp.n/aNADickschat et al. 2005_4
ProkaryotaDinoroseobacter Shibaen/aNADickschat et al. 2005_4
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaLactobacillus Casein/aNATracey and Britz 1989
ProkaryotaLactobacillus Plantarumn/aNATracey and Britz 1989
ProkaryotaPediococcus Damnosusn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Cremorisn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Dextranicumn/aNATracey and Britz 1989
ProkaryotaLactococcus Lactisn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Mesenteroidesn/aNATracey and Britz 1989
ProkaryotaLeuconostoc Paramesenteroidesn/aNATracey and Britz 1989
ProkaryotaOenococcus Oenin/aNATracey and Britz 1989
ProkaryotaSerratia Plymuthican/aNAWeise et al. 2014
ProkaryotaSerratia Proteamaculansn/aNAWeise et al. 2014
ProkaryotaSerratia Marcescensn/aNAWeise et al. 2014
ProkaryotaSerratia Odoriferan/aNAWeise et al. 2014
EukaryotaTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber BorchiiInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismNASplivallo et al. 2007
ProkaryotaBacillus Cereusn/aNABlom et al. 2011
ProkaryotaBurkholderia Andropogonisn/aNABlom et al. 2011
ProkaryotaCellulomonas Udan/aNABlom et al. 2011
ProkaryotaEscherichia Colin/aNABlom et al. 2011
ProkaryotaPseudomonas Fluorescensn/aNABlom et al. 2011
ProkaryotaSerratia Entomophilan/aNABlom et al. 2011
ProkaryotaSerratia Marcescensn/aNABlom et al. 2011
ProkaryotaSerratia Plymuthican/aNABlom et al. 2011
ProkaryotaSerratia Proteamaculansn/aNABlom et al. 2011
ProkaryotaStenotrophomonas Rhizophilan/aNABlom et al. 2011
ProkaryotaBurkholderia Caledonican/aNABlom et al. 2011
ProkaryotaBurkholderia Caribensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Caryophyllin/aNABlom et al. 2011
ProkaryotaBurkholderia Cepacian/aNABlom et al. 2011
ProkaryotaBurkholderia Fungorumn/aNABlom et al. 2011
ProkaryotaBurkholderia Gladiolin/aNABlom et al. 2011
ProkaryotaBurkholderia Glumaen/aNABlom et al. 2011
ProkaryotaBurkholderia Graminisn/aNABlom et al. 2011
ProkaryotaBurkholderia Hospitan/aNABlom et al. 2011
ProkaryotaBurkholderia Kururiensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Latan/aNABlom et al. 2011
ProkaryotaBurkholderia Phenaziniumn/aNABlom et al. 2011
ProkaryotaBurkholderia Phenoliruptrixn/aNABlom et al. 2011
ProkaryotaBurkholderia Phytofirmansn/aNABlom et al. 2011
ProkaryotaBurkholderia Pyrrocinian/aNABlom et al. 2011
ProkaryotaBurkholderia Saccharin/aNABlom et al. 2011
ProkaryotaBurkholderia Sordidicolan/aNABlom et al. 2011
ProkaryotaBurkholderia Terricolan/aNABlom et al. 2011
ProkaryotaBurkholderia Thailandensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Xenovoransn/aNABlom et al. 2011
ProkaryotaXanthomonas Campestrisn/aNAWeise et al. 2012
EukaryotaTuber MelanosporumInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismNASplivallo et al. 2007
EukaryotaTuber IndicumInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismNASplivallo et al. 2007
EukaryotaSaccharomyces Cerevisiaecontrol citrus black spot disease fermentation processesToffano et al. 2017
ProkaryotaEscherichia ColiAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
EukaryotaAureobasidium PullulansapplesDavis et al. 2012
ProkaryotaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
ProkaryotaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
ProkaryotaEnterobacter AgglomeransNARobacker and Lauzon 2002
EukaryotaPenicillium CorymbiferumNAPierce et al. 1991
EukaryotaScopulariopsis BrevicaulisNAPierce et al. 1991
EukaryotaFusarium Sp.NAPierce et al. 1991
EukaryotaSaccharomyces Cerevisiaegrape vineBecher et al. 2012
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
EukaryotaAureobasidium Pullulansattracts waspsisolated from apples (with lepidopteran orchard pests)Davis et al. 2012
EukaryotaPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al. 2012
EukaryotaAspergillus Ustusnawater damaged buildings, BelgiumPolizzi et al. 2012
EukaryotaPericonia Britannicanawater damaged buildings, BelgiumPolizzi et al. 2012
EukaryotaTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al. 2012
ProkaryotaBurkholderia CepaciaRhizosphereBlom et al. 2011
ProkaryotaBurkholderia KururiensisRhizosphereBlom et al. 2011
ProkaryotaStreptococcus PneumoniaeclinicPreti et al. 2009
ProkaryotaBranhamella CatarrhalisclinicPreti et al. 2009
ProkaryotaStenotrophomonas MaltophiliaclinicPreti et al. 2009
EukaryotaHansenula Holstiiwhole beetles, beetle guts, loblolly pineBrand et al. 1977
EukaryotaPhoma Sp.n/aNAStrobel et al. 2011
ProkaryotaStaphylococcus Sciurinafrom the gut flora of pea aphid Acyrthosiphon pisum honeydewLeroy et al. 2011
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
EukaryotaPhomopsis Sp.naendophyte of Odontoglossum sp.Singh et al. 2011
EukaryotaTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
EukaryotaTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
ProkaryotaSerratia Plymuthican/aNAKai et al. 2007
ProkaryotaStaphylococcus Epidermidisn/aNAKai et al. 2007
ProkaryotaStenotrophomonas Rhizophilan/aNAKai et al. 2007
ProkaryotaEnterobacter Cloacaen/aNAArnold and Senter 1998
ProkaryotaPseudomonas Aeruginosan/aNAArnold and Senter 1998
ProkaryotaProteus HauseriNematicidal activitycow dungXU et al. 2015
ProkaryotaWautersiella FalseniiNematicidal activitycow dungXU et al. 2015
EukaryotaPhellinus Sp.n/aNAStotzky and Schenck 1976
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaSaccharomyces Cerevisiaen/aNABruce et al. 2004
EukaryotaMuscodor Albusn/aNACorcuff et al. 2011
EukaryotaAscocoryne Sarcoidesn/aNAMallette et al.  2012
EukaryotaTrichoderma Atroviriden/aNAStoppacher et al. 2010
ProkaryotaAzospirillum Brasilensepromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
ProkaryotaBacillus Pumiluspromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
ProkaryotaEscherichia Colipromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
EukaryotaTrichoderma VirensNACrutcher et al. 2013
EukaryotaTrichoderma AtrovirideNACrutcher et al. 2013
EukaryotaTrichoderma ReeseiNACrutcher et al. 2013
EukaryotaPhoma Sp.nanaNaznin et al. 2014
EukaryotaAmpelomyces Sp.nanaNaznin et al. 2014
EukaryotaHypoxylon Anthochroumnaendophytic in Bursera lancifoliaUlloa-Benítez et al. 2016
EukaryotaXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al. 2016
EukaryotaVerticillium Longisporumcollection TU GrazRybakova et al. 2017
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaCryptococcus NemorosusNANALjunggren et al. 2019
EukaryotaMetschnikowia AndauensisNANALjunggren et al. 2019
EukaryotaMetschnikowia SaccharicolaNANALjunggren et al. 2019
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAGe et al. 2021
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
ProkaryotaAchromobacter Sp.NANAAlmeida et al. 2022
ProkaryotaSerratia Sp.NANAAlmeida et al. 2022
ProkaryotaEnterobacter Sp.NANAAlmeida et al. 2022
ProkaryotaEscherichia ColiNANAAlmeida et al. 2022
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2022
EukaryotaAureobasidium PullulansNANAMozūraitis et al. 2022
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
EukaryotaPichia KudriavzeviiNANAMozūraitis et al. 2022
EukaryotaPichia FermentansNANAMozūraitis et al. 2022
EukaryotaPichia KluyveriNANAMozūraitis et al. 2022
EukaryotaPichia MembranifaciensNANAMozūraitis et al. 2022
EukaryotaSaccharomyces ParadoxusNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
EukaryotaPichia AnomalaNANAMozūraitis et al. 2022
EukaryotaMetschnikowia PulcherrimaNANAMozūraitis et al. 2022
ProkaryotaStaphylococcus EquorumNANAToral et al. 2021
ProkaryotaBacillus AtrophaeusNANAToral et al. 2021
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
EukaryotaWickerhamomyces AnomalusNANAShi et al. 2022
ProkaryotaBacillus SubtilisNANALee et al. 2023
EukaryotaSaccharomyces EubayanusNANAUrbina et al. 2020
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2020
EukaryotaMeyerozyma GuilliermondiiNANAZhao et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAZhao et al. 2022
EukaryotaSaccharomycopsis ViniNANAZhao et al. 2022
EukaryotaSaturnispora DiversaNANAZhao et al. 2022
EukaryotaWickerhamomyces AnomalusNANAZhao et al. 2022
EukaryotaHanseniaspora ValbyensisNANATran et al. 2022
EukaryotaPhytophthora CinnamomiN/APhytophthora cinnamomiQiu R et al. 2014
EukaryotaPhytophthora RamorumN/APhytophthora ramorumLoulier et al. 2020
EukaryotaMeyerozyma GuilliermondiiXiong et al. 2023
EukaryotaKluyveromyces MarxianusJi et al. 2024
EukaryotaSaccharomyces CerevisiaeJi et al. 2024
EukaryotaCyberlindnera FabianiiMa et al. 2023
EukaryotaDebaryomyces HanseniiLi et al. 2023
ProkaryotaCitrobacter FreundiiTallon et al. 2023
ProkaryotaEnterobacter AgglomeransTallon et al. 2023
ProkaryotaEnterobacter CloacaeTallon et al. 2023
ProkaryotaKlebsiella OxytocaTallon et al. 2023
ProkaryotaPediococcus AcidilacticiMockus et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaKlebsiella PneumoniaeNBTD/GC-MSno
ProkaryotaStaphylococcus AureusDMEMTD/GC-MSno
ProkaryotaStaphylococcus AureusNBTD/GC-MSno
EukaryotaCandida DubliniensisRPMISPME/GC-MSno
EukaryotaCandida AlbicansRPMISPME/GC-MSno
EukaryotaCandida ParapsilosisTSBSPME/GC-MSno
EukaryotaCandida AlbicansYPDSPME/GC-MSno
EukaryotaCandida ParapsilosisYPDSPME/GC-MSno
EukaryotaCandida AlbicansTSBSPME/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaEscherichia ColiTSATD/GC-MSno
ProkaryotaEscherichia ColiLBTD/GC-MSno
EukaryotaCandida AlbicansColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaProteus MirabilisColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaStreptococcus AgalactiaeColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaMycobacterium BovisLG + glycerolTD/GC-MS and SIFT-MSno
ProkaryotaEnterobacter CloacaeLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
EukaryotaPythium OligandrumV8 juice agarSPME/GC-MS/MSyes
ProkaryotaCorynebacterium Accolensbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaCorynebacterium Jeikeiumbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaCorynebacterium Minutissimumbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaCorynebacterium Striatumbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaStaphylococcus Schleiferibrain heart infusion mediumPorapak / GC/MSno
ProkaryotaStaphylococcus Sciuribrain heart infusion mediumPorapak / GC/MSno
ProkaryotaErwinia AmylovoraLuria-Bertani (LB)PTR-MS / SPME / GC-MSno
ProkaryotaBacillus AcidicelerLB agarSPME / GS-MSno
EukaryotaFusarium CulmorumKing`s B agarUPLC-MSno
EukaryotaHypoxylon InvadensYMG mediumCSLA-GCMSyes
EukaryotaSaccharomyces Cerevisiaemedium malt extract agar ± SucroseHS-SPME, GC-MSno
ProkaryotaShigella SonneiSodium chloride brothSPME, GC-MSno
ProkaryotaVibrio ParahaemolyticusSodium chloride brothSPME, GC-MSno
EukaryotaAspergillus Fischerimedium 129CLSA-GCMSyes
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes
EukaryotaFusarium OxysporumPDA plateSPME-GC-MSno
EukaryotaTrichoderma HarzianumPDA plateSPME-GC-MSno
ProkaryotaBacillus Sp.LB agarSPME-GC-MSno
EukaryotaAureobasidium PullulansYPDA(HS)-SPME/GC-MSno
EukaryotaMetschnikowia PulcherrimaYPDA(HS)-SPME/GC-MSno
EukaryotaSaccharomyces CerevisiaeYPDA(HS)-SPME/GC-MSno
EukaryotaWickerhamomyces AnomalusYPDA(HS)-SPME/GC-MSno
EukaryotaCandida SakeYeast Nitrogen base with 1% pectinSPME / GCMSno
EukaryotaFusarium Oxysporumpotato dextrose agarSPME, GC-MSno
EukaryotaTrichoderma Harzianumpotato dextrose agarSPME, GC-MSno
ProkaryotaProteus VulgarisLB agarSPME, GC-MSno
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas PseudoalcaligenesLB mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaStenotrophomonas MaltophiliaTYB mediaGC-MSno
ProkaryotaStaphylococcus PasteuriTYB mediaGC-MSno
ProkaryotaArthrobacter UreafaciensTYB mediaGC-MSno
ProkaryotaPantoea VagansTYB mediaGC-MSno
ProkaryotaArthrobacter PhenanthrenivoransTYB mediaGC-MSno
ProkaryotaRahnella AquatilisLB mediaHS-SPME/GC-MSyes
EukaryotaGrosmannia ClavigeraPDA mediaGC-MSno
EukaryotaOphiostoma IpsPDA mediaGC-MSno
ProkaryotaStreptomyces Philanthisterile wheat seedsGC-MSno
ProkaryotaCoraliitalea Coraliimarine broth agarOSSA/GC-MSno
EukaryotaMalassezia Globosamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Restrictamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Sympodialismodified Dixon agarHS-SPME/GC-MSno
ProkaryotaBacillus CereusLB agarHS-SPME/GC-MSyes
ProkaryotaBacillus CereusLB agarHS-SPME/GC-MSno
EukaryotaMetschnikowia Reukaufiiartificial nectar mediaGC-MSno
EukaryotaDebaryomyces Hanseniiartificial nectar mediaGC-MSno
EukaryotaMrakia Blollopisartificial nectar mediaGC-MSno
EukaryotaTausonia Pullulansartificial nectar mediaGC-MSno
EukaryotaCystofilobasidium Sp.artificial nectar mediaGC-MSno
EukaryotaCystofilobasidium Capitatumartificial nectar mediaGC-MSno
EukaryotaGoffeauzyma Gilvescensartificial nectar mediaGC-MSno
EukaryotaRhodotorula Mucilaginosaartificial nectar mediaGC-MSno
EukaryotaSporidiobolus Salmonicolorartificial nectar mediaGC-MSno
EukaryotaCystobasidium Laryngisartificial nectar mediaGC-MSno
ProkaryotaStaphylococcus Aureusblood/choclate agarGC-Ms flame photometric detectorno
ProkaryotaStaphylococcus AureusBlood agar/chocolate blood agaHS-SPME/GC-MS no
EukaryotaHypoxylon Anthochroumno
EukaryotaFusarium Sp.no
EukaryotaAspergillus Sp.no
EukaryotaPenicillium Sp.no
EukaryotaTrichoderma Sp.no
EukaryotaChaetomium Globosumno
EukaryotaLasiodiplodia Theobromaeno
EukaryotaTuber Sp.no
ProkaryotaMyxobacterium Sp.n/an/ano
ProkaryotaRoseobacter Claden/an/ano
ProkaryotaStaphylococcus Xylosusn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaCitrobacter Sp.n/an/ano
ProkaryotaEnterobacter Sp.n/an/ano
ProkaryotaEscherichia Sp.n/an/ano
ProkaryotaKlebsiella Sp.n/an/ano
ProkaryotaArctic Bacteriumn/an/ano
ProkaryotaStreptomyces Albidoflavusn/an/ano
ProkaryotaStreptomyces Antibioticusn/an/ano
ProkaryotaStreptomyces Diastatochromogenesn/an/ano
ProkaryotaStreptomyces Griseusn/an/ano
ProkaryotaStreptomyces Hirsutusn/an/ano
ProkaryotaStreptomyces Hygroscopicusn/an/ano
ProkaryotaStreptomyces Murinusn/an/ano
ProkaryotaStreptomyces Olivaceusn/an/ano
ProkaryotaStreptomyces Thermoviolaceusn/an/ano
ProkaryotaStreptomycetes Sp.n/an/ano
ProkaryotaChondromyces Crocatusn/an/ano
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/an/ano
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaDinoroseobacter Shibaen/an/ano
ProkaryotaNannocystis Exedensn/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaLactobacillus Casein/an/ano
ProkaryotaLactobacillus Plantarumn/an/ano
ProkaryotaPediococcus Damnosusn/an/ano
ProkaryotaLeuconostoc Cremorisn/an/ano
ProkaryotaLeuconostoc Dextranicumn/an/ano
ProkaryotaLactococcus Lactisn/an/ano
ProkaryotaLeuconostoc Mesenteroidesn/an/ano
ProkaryotaLeuconostoc Paramesenteroidesn/an/ano
ProkaryotaOenococcus Oenin/an/ano
ProkaryotaSerratia PlymuthicaNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia ProteamaculansNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia MarcescensNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia OdoriferaNBIIHeadspace trapping/ GC-MSno
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Borchiin/an/ano
ProkaryotaBacillus CereusLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia AndropogonisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaCellulomonas UdaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaEscherichia ColiLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas FluorescensMR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia EntomophilaLB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia MarcescensLB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia PlymuthicaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia PlymuthicaMR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia ProteamaculansLB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaStenotrophomonas RhizophilaLB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaledonicaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaribensisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaryophylliLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CepaciaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia FungorumMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GladioliMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GlumaeLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GraminisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia HospitaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia KururiensisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia LataMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhenaziniumLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhenoliruptrixLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhytofirmansLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PyrrociniaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia SacchariLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia SordidicolaAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TerricolaLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia ThailandensisMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia XenovoransMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaXanthomonas CampestrisNBIIClosed airflow-system/GC-MS and PTR-MSno
EukaryotaTuber Melanosporumn/an/ano
EukaryotaTuber Indicumn/an/ano
EukaryotaSaccharomyces CerevisiaeYEPDAGC/MSno
ProkaryotaEscherichia ColiTS brothGC-MS Super Qno
EukaryotaAureobasidium PullulansSabouraud dextrose agarGC-MSyes
ProkaryotaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
ProkaryotaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
ProkaryotaEnterobacter Agglomeransno
EukaryotaPenicillium CorymbiferumGC-FIDyes
EukaryotaScopulariopsis BrevicaulisGC-FIDyes
EukaryotaFusarium Sp.GC-FIDyes
EukaryotaSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno
EukaryotaAureobasidium PullulansSabouraud Dextrose AgarGC/FIDyes
EukaryotaPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
EukaryotaAspergillus Ustusmalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
EukaryotaPericonia Britannicamalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
EukaryotaTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
ProkaryotaBurkholderia CepaciaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)yes
ProkaryotaBurkholderia KururiensisLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)yes
ProkaryotaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaBranhamella CatarrhalisBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no
EukaryotaHansenula HolstiiPYGGC-MSno
EukaryotaPhoma Sp.n/aSolid phase microextraction (SPME)no
ProkaryotaStaphylococcus Sciuri877 liquid mediumSPME-GC/MSno
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
EukaryotaPhomopsis Sp.PDA mediumSPME-GC/MSyes
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
ProkaryotaSerratia Plymuthican/an/ano
ProkaryotaStaphylococcus Epidermidisn/an/ano
ProkaryotaStenotrophomonas Rhizophilan/an/ano
ProkaryotaEnterobacter CloacaeHS-SPME/GC-MS no
ProkaryotaPseudomonas AeruginosaHS-SPME/GC-MS no
ProkaryotaProteus HauseriLB liquidSPME-GC/MSno
ProkaryotaWautersiella FalseniiLB liquidSPME-GC/MSno
EukaryotaPhellinus Sp.n/an/ano
EukaryotaTuber Aestivumn/an/ano
EukaryotaSaccharomyces Cerevisiaen/an/ano
EukaryotaMuscodor Albusn/aHeadspace sampler/GC-MSno
EukaryotaAscocoryne SarcoidesMinimal mediumPTR-MS and SPME GC-MSno
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
ProkaryotaAzospirillum BrasilenseTSASPME-GCno
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaEscherichia ColiTSASPME-GCno
EukaryotaTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
EukaryotaTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
EukaryotaPhoma Sp.naSPME-GC/MSno
EukaryotaAmpelomyces Sp.naSPME-GC/MSno
EukaryotaHypoxylon AnthochroumPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSyes
EukaryotaXylaria Sp.PDA mediumSPME-GC/MSyes
EukaryotaVerticillium Longisporumpotato dextrose agar (PDA), Czapek Dox liquid cultureGC-MS / SPMEno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaCryptococcus Nemorosusliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Andauensisliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Saccharicolaliquid YPD mediumGC-MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaegrape juiceLC-15C HPLCno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
ProkaryotaAchromobacter Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaSerratia Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaEnterobacter Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaEscherichia ColiLB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
EukaryotaSaccharomyces EubayanusYPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)HS‐SPME‐GC‐MSno
EukaryotaAureobasidium PullulansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaCryptococcus WieringaeYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaHanseniaspora UvarumYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KudriavzeviiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia FermentansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KluyveriYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia MembranifaciensYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaSaccharomyces ParadoxusYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaTorulaspora DelbrueckiiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia AnomalaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaMetschnikowia PulcherrimaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
ProkaryotaStaphylococcus EquorumSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaStaphylococcus Equorumtryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus AtrophaeusMOLPHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.MOLPHS-SPME-GC/MSno
EukaryotaWickerhamomyces Anomalusmedium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)SPME with GC-MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
EukaryotaSaccharomyces Eubayanusbeer wortHS-SPME-GC-MSno
EukaryotaSaccharomyces Eubayanusbeer wortHS‐GC‐FIDno
EukaryotaMeyerozyma Guilliermondiisynthetic grape juiceHS-SPMEno
EukaryotaSaccharomyces Cerevisiaesynthetic grape juiceHS-SPMEno
EukaryotaSaccharomycopsis Vinisynthetic grape juiceHS-SPMEno
EukaryotaSaturnispora Diversasynthetic grape juiceHS-SPMEno
EukaryotaWickerhamomyces Anomalussynthetic grape juiceHS-SPMEno
EukaryotaHanseniaspora Valbyensissugared green and black teaHS-SPME-GC/MSno
EukaryotaPhytophthora CinnamomiPotato Dextrose Agar,V8 juice agarSPME/GC-MS/MSno
EukaryotaPhytophthora RamorumPotato Dextrose AgarSPME/GC-MS/MSstandard
EukaryotaMeyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno
EukaryotaCyberlindnera Fabianiituna cooking liquidHS-SPME-GC/MSno
EukaryotaDebaryomyces Hanseniimeat with pork lardGC-MSno
ProkaryotaCitrobacter Freundiitryptone soya broth (TSB) mediaSPME/GC/MSno
ProkaryotaEnterobacter Agglomeranstryptone soya broth (TSB) mediaSPME/GC/MSno
ProkaryotaEnterobacter Cloacaetryptone soya broth (TSB) mediaSPME/GC/MSno
ProkaryotaKlebsiella Oxytocatryptone soya broth (TSB) mediaSPME/GC/MSno
ProkaryotaCitrobacter Freundiitryptone soya broth (TSB) mediaTenax/GC/MSno
ProkaryotaPediococcus Acidilacticilentils (Lens culinaris)SPME/ICP-MSno


Compound Details

Synonymous names
toluene
methylbenzene
108-88-3
toluol
Phenylmethane
methacide
methylbenzol
Benzene, methyl-
antisal 1a
Toluen
tolu-sol
Methane, phenyl-
Tolueen
Toluolo
phenyl methane
1-Methylbenzene
monomethyl benzene
RCRA waste number U220
Tolueno
methyl-Benzene
Caswell No. 859
p-toluene
NCI-C07272
CP 25
CCRIS 2366
HSDB 131
NSC 406333
UN 1294
4-methylbenzene
Benzene, methyl
EINECS 203-625-9
UNII-3FPU23BG52
EPA Pesticide Chemical Code 080601
NSC-406333
3FPU23BG52
DTXSID7021360
CHEBI:17578
AI3-02261
TOLUENE (RING-D5)
CHEMBL9113
DTXCID501360
EC 203-625-9
Toluene, anhydrous
MFCD00008512
NCGC00090939-02
TOLUENE (IARC)
TOLUENE [IARC]
TOLUENE (MART.)
TOLUENE [MART.]
TOLUENE (USP-RS)
TOLUENE [USP-RS]
Tolueen [Dutch]
Toluen [Czech]
Toluene, analytical standard
Tolueno [Spanish]
Toluolo [Italian]
methyl benzene
para-toluene
Methyl benzol
Toluene, ACS reagent, >=99.5%
Toluene 1000 microg/mL in Methanol
CAS-108-88-3
RAMIPRIL IMPURITY G (EP IMPURITY)
RAMIPRIL IMPURITY G [EP IMPURITY]
PHME
UN1294
RCRA waste no. U220
methylbenzenes
Dracyl
phenyl-methane
toluene solvent
2-methylbenzene
toluene-
Methylbenzene; Toluene; Ramipril Imp. G (EP); Ramipril Impurity G
MePh
2-methyl benzene
4-methyl-benzene
Toluene ACS Grade
Toluene HPLC grade
Methylbenzene, 9CI
Toluene (Technical)
Toluene, for HPLC
PhCH3
Toluene, ACS reagent
Toluene, HPLC Grade
4i7k
TOLUENE [HSDB]
TOLUENE [INCI]
Toluene, 99.5%
TOLUENE [MI]
CP 25 (SOLVENT)
Toluene, Environmental Grade
Toluene, Semiconductor Grade
Toluene, LR, >=99%
C6H5CH3
TOLUENE [GREEN BOOK]
WLN: 1R
BIDD:ER0288
Toluene, anhydrous, 99.8%
Toluene, ASTM, 99.5%
Toluene, p.a., 99.5%
GTPL5481
Toluene, AR, >=99.5%
Toluene, for HPLC, 99.9%
Toluene, LR, rectified, 99%
CHEBI:38975
DTXSID00184990
DTXSID50175878
Toluene, HPLC grade, 99.8%
Toluene, Spectrophotometric Grade
Toluene 10 microg/mL in Methanol
Toluene, LR, sulfur free, 99%
Toluene, AR, rectified, 99.5%
Toluene, technical grade, 95.0%
BCP16202
Toluene, for HPLC, >=99.8%
Toluene, for HPLC, >=99.9%
Toluene, histology grade, practical
Toluene, PRA grade, >=99.8%
Toluene 100 microg/mL in Methanol
Tox21_111042
Tox21_201224
BDBM50008558
NSC406333
Toluene, purification grade, 99.8%
AKOS015840411
DB11558
MCULE-4817136027
Toluene, anhydrous, (water < 50ppm)
Toluene, puriss., >=99.5% (GC)
Toluene, SAJ first grade, >=99.0%
NCGC00090939-01
NCGC00090939-03
NCGC00258776-01
Toluene [UN1294] [Flammable liquid]
Toluene, JIS special grade, >=99.5%
Toluene, Laboratory Reagent, >=99.3%
Toluene, for HPLC, >=99.7% (GC)
Toluene, UV HPLC spectroscopic, 99.5%
Toluene, anhydrous, ZerO2(TM), 99.8%
DB-309420
NS00008096
T0260
Toluene, suitable for determination of dioxins
C01455
Q15779
Toluene, suitable for scintillation, >=99.7%
Toluene liquid density, NIST(R) SRM(R) 211d
A801937
SR-01000944565
Toluene, ACS spectrophotometric grade, >=99.5%
SR-01000944565-1
Toluene, p.a., ACS reagent, reag. ISO, 99.5%
InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H
D5191 Vapor Pressure - 7.1kPa (1.03 psi), 10 x 10 mL
Toluene, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.5%
Toluene, absolute, over molecular sieve (H2O <=0.005%), >=99.7% (GC)
Toluene, Pharmaceutical Secondary Standard; Certified Reference Material
Residual Solvent - Toluene, Pharmaceutical Secondary Standard; Certified Reference Material
Toluene, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.7% (GC)
25013-04-1
Microorganism:

Yes

IUPAC nametoluene
SMILESCC1=CC=CC=C1
InchiInChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
FormulaC7H8
PubChem ID1140
Molweight92.14
LogP2.7
Atoms7
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkylbenzenes aromatic compounds benzenoids
CHEBI-ID17578
Supernatural-IDSN0462728

mVOC Specific Details

Boiling Point
DegreeReference
110.6 °C peer reviewed
Volatilization
The Henry's Law constant for toluene is 6.64X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that toluene is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2.9 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 3.8 days(SRC). Toluene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Toluene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 28.4 mm Hg(3). The air-water interface equilibrium partitioning coefficient for toluene, at a concentration of 0.47 mg/L, has been reported to be 0.223, 0.226, 0.273, and 0.336 at 26.9, 31.9, 36.9, and 41.9 deg C, respectively(4). A first-order volatilization rate calculated for toluene from water using an inverse reactive simulation was reported as 6.62X10-6/sec(5). The volatilization half-life of toluene from a water column of one meter depth was estimated to be 5.18 hours(6). Toluene was reported to have a disappearance half-life of <2 days due to volatilization in two different soil types, a Captina silt loam and a McLaurin sandy loam(7).
Literature: (1) Mackay D et al; Environ Sci Technol 13: 333-6 (1979) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (4) Cheng W-H et al; Atmos Environ 37: 4807-4815 (2003) (5) Keefe SH et al; Environ Sci Technol 38: 2209-2216 (2004) (6) Mackay D, Leinonen PJ; Environ Sci Technol 9: 1178-80 (1975) (7) Anderson TA et al; J Environ Qual 20:420-4 (1991)
Soil Adsorption
The Koc of toluene was reported as 178 in a sandy soil(1) and as 37 (Wendover silty loam), 160 (Grimsby silt loam), 160 (Vaudreil sandy loam) and 46 (sandy soil)(2). The Koc of toluene in lake sediment was measured as 166(3). According to a classification scheme(4), these measured Koc values suggest that toluene is expected to have high to moderate mobility in soil.
Literature: (1) Wilson JT et al; J Environ Qual 10: 501-6 (1981) (2) Nathwani JS, Phillips CR; Chemosphere 6: 157-62 (1977) (3) Kan AT et al; Environ Sci Technol 32: 892-902 (1998) (4) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #In association with clay minerals, toluene's adsorption is inversely proportional to the pH of the soil. Approximately 40-70% of toluene applied to the surface of sandy soils is volatilized.
Literature: IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: http://monographs.iarc.fr/ENG/Classification/index.php, p. V47: 90 (1989)
Vapor Pressure
PressureReference
28.4 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANAHewett et al. 2020
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
EukaryotaPenicillium ChrysogenumNANACosta et al. 2016
ProkaryotaPseudomonas AeruginosaNANANA
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin et al. 2021
ProkaryotaPseudomonas Pseudoalcaligenespromotes the growth of Zea mays L. and confer the resistance to drought stress in this maizeApplied Microbiology and Biotechnology lab, Department of Biosciences, Comsats University IslamabadYasmin et al. 2021
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
EukaryotaAntrodia CinnamomeananaLu et al. 2014
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
ProkaryotaSerratia Proteamaculansn/aNAErcolini et al. 2009
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
EukaryotaTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Borchiin/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Brumalen/aFortywoodland of the Basilicata regionMauriello et al. 2004
ProkaryotaBurkholderia Tropican/aNATenorio-Salgado et al. 2013
ProkaryotaBurkholderia Sp.bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
ProkaryotaPaenibacillus Sp.bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
ProkaryotaAchromobacter Sp.NANAAlmeida et al. 2022
ProkaryotaSerratia Sp.NANAAlmeida et al. 2022
EukaryotaAureobasidium PullulansNANAMozūraitis et al. 2022
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
EukaryotaPichia KudriavzeviiNANAMozūraitis et al. 2022
EukaryotaPichia FermentansNANAMozūraitis et al. 2022
EukaryotaPichia KluyveriNANAMozūraitis et al. 2022
EukaryotaPichia MembranifaciensNANAMozūraitis et al. 2022
EukaryotaSaccharomyces ParadoxusNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
EukaryotaPichia AnomalaNANAMozūraitis et al. 2022
EukaryotaMetschnikowia PulcherrimaNANAMozūraitis et al. 2022
EukaryotaKluyveromyces MarxianusJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBSPME/GC-MSno
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaPseudomonas Aeruginosatrypticase soy agarTD/GC-MSno
EukaryotaAspergillus FlavusSNA mediaSPME/GC-MSno
ProkaryotaPseudomonas PseudoalcaligenesLB mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaAntrodia CinnamomeaPDAGC/MSyes
EukaryotaTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaCarnobacterium Divergensn/an/ano
ProkaryotaPseudomonas Fragin/an/ano
EukaryotaTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaBurkholderia TropicaPotato dextrose agarHeadspace trapping/ GC-MSno
ProkaryotaBurkholderia Sp.TSBAGC-Q-TOFno
ProkaryotaPaenibacillus Sp.TSBAGC-Q-TOFno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaAchromobacter Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaSerratia Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
EukaryotaAureobasidium PullulansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaCryptococcus WieringaeYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaHanseniaspora UvarumYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KudriavzeviiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia FermentansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KluyveriYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia MembranifaciensYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaSaccharomyces ParadoxusYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaTorulaspora DelbrueckiiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia AnomalaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaMetschnikowia PulcherrimaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno


[(2Z)-3,7-dimethylocta-2,6-dienyl] Acetate

Compound Details

Synonymous names
Neryl acetate
141-12-8
Nerol acetate
cis-Geranyl acetate
Neryl ethanoate
(Z)-3,7-Dimethylocta-2,6-dien-1-yl acetate
cis-3,7-Dimethyl-2,6-octadien-1-yl acetate
NSC-72031
FEMA No. 2773
Neryl acetate (natural)
2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2Z)-
UNII-OF82IJU18H
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-
OF82IJU18H
cis-3,7-Dimethyl-2,6-octadien-1-ol acetate
[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
NERYLACETATE
EINECS 205-459-2
BRN 1722814
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)-
AI3-35817
DTXSID2047068
3,7-Dimethyl-2,6-octadienyl acetate, (Z)-
CHEBI:141210
(2Z)-3,7-dimethylocta-2,6-dien-1-yl acetate
3,7-Dimethyl-2,6-octadien-1-yl acetate, cis-
2-02-00-00153 (Beilstein Handbook Reference)
3,7-Dimethyl-2,6-octadien-1-yl ethanoate, cis-
MFCD00063205
3,7-Dimethyl-2Z,6-octadienyl acetate
Geranyl acetate, cis-
cis-1-acetoxy-3,7-dimethyl-2,6-octadiene
(2Z)-3,7-Dimethyl-2,6-octadienyl acetate
Acetic acid neryl ester
NERYL ACETATE [FCC]
NERYL ACETATE [FHFI]
SCHEMBL236190
Neryl acetate, natural, 90%
CHEMBL2268549
DTXCID0027068
Neryl acetate, analytical standard
16409-44-2
NSC72031
Tox21_301974
BDBM50036947
LMFA07010194
s9373
Neryl acetate, >=98%, FCC, FG
AKOS016009834
2, 3,7-dimethyl-, acetate, (Z)-
CCG-266557
CS-W015699
HY-W014983
NCGC00256089-01
AS-68365
CAS-141-12-8
DB-321111
cis-1-acetoxy-3,7-dimethyl-octa-2,6-diene
N0463
NS00075631
(2Z)-3,7-Dimethyl-2,6-octadienyl acetate #
A885701
cis-3,7-Dimethyl-2,6-octadien-1-yl acetate, 98%
Q1368877
130396-85-9
Microorganism:

Yes

IUPAC name[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
SMILESCC(=CCCC(=CCOC(=O)C)C)C
InchiInChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-
FormulaC12H20O2
PubChem ID1549025
Molweight196.29
LogP3.5
Atoms14
Bonds6
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters terpenes
CHEBI-ID141210
Supernatural-IDSN0126398-02

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNAKarami et al. 2017
EukaryotaKluyveromyces MarxianusJi et al. 2024
EukaryotaSaccharomyces CerevisiaeJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno


(2E)-3,7-dimethylocta-2,6-dienal

Mass-Spectra

Compound Details

Synonymous names
Citral
GERANIAL
5392-40-5
trans-Citral
(2E)-3,7-dimethylocta-2,6-dienal
141-27-5
3,7-dimethylocta-2,6-dienal
Citral a
geranialdehyde
alpha-Citral
(E)-Citral
geranal
Geranaldehyde
2,6-Octadienal, 3,7-dimethyl-
Lemsyn GB
Genanial
(E)-Geranial
beta-Geranial
(E)-3,7-Dimethylocta-2,6-dienal
147060-73-9
Citral alpha
3,7-Dimethyl-2,6-octadienal
(E)-Neral
Citral (natural)
2,6-Octadienal, 3,7-dimethyl-, (2E)-
Lemarome n
Caswell No. 221B
Citral-A
FEMA Number 2303
trans-3,7-Dimethyl-2,6-octadienal
NCI-C56348
2,6-Octadienal, 3,7-dimethyl-, (E)-
3,7-Dimethyl-trans-2,6-octadienal
(E)-3,7-Dimethyl-2,6-octadienal
FEMA No. 2303
CCRIS 1043
HSDB 993
UNII-T7EU0O9VPP
2,6-Dimethyloctadien-2,6-al-8
3,7-Dimethyl-1,2,6-octadienal
NSC 6170
EINECS 205-476-5
EINECS 226-394-6
(2e)-geranial
EPA Pesticide Chemical Code 040510
UNII-758ZMW724E
BRN 1721871
BRN 1721873
CITRAL GERANIAL
CHEBI:16980
AI3-01011
AI3-28519
758ZMW724E
T7EU0O9VPP
cis/trans-3,7-Dimethyl-2,6-octadienal
NSC6170
EC 205-476-5
EC 226-394-6
3-01-00-03053 (Beilstein Handbook Reference)
4-01-00-03569 (Beilstein Handbook Reference)
NSC-6170
trans-Citral = trans-3,7-Dimethyl-octa-2,6-dien-1-al
Citral, analytical standard
lemonal
DTXCID304836
cis,trans-Citral
DTXSID6024836
CITRAL NATURAL
Z-Citral
Natural Citral
CAS-5392-40-5
LEMAROME
CITRAL SINTETICO
MFCD00006997
alpha -Citral
Citral N
.alpha.-Citral
3,2,6-octadienal
(2E)-3,7-Dimethyl-2,6-octadienal
Citral, cis + trans
CITRAL PQ EXTRA
Citral, 95%
trans-Citral (Geranial)
CITRAL (MART.)
SCHEMBL23073
CITRAL GERANIAL [MI]
CITRAL (E109)
3,7-Dimethyl-2,6 octadienal
GTPL6327
CHEMBL1080997
2,6-Octadienal,3,7-dimethyl-
DTXSID20881217
CHEBI:137934
WLN: VH1UY1&3Y1&U1
HY-N7083
3,7-dimethyl-(e)-2,6-octadienal
Tox21_202093
Tox21_300095
BBL011666
STK802499
3,7-dimethyl-(2e)-2,6-octadienal
trans-3,7-dimethyl-octa-2,6-dienal
AKOS000119519
CCG-266236
Citral, natural, >=96%, FCC, FG
CS-W010948
LMPR0102010003
(2E)-3,7-dimethyl-octa-2,6-dienal
Citral 1000 microg/mL in Acetonitrile
Citral, Vetec(TM) reagent grade, 94%
NCGC00091550-01
NCGC00091550-02
NCGC00091550-03
NCGC00091550-04
NCGC00254026-01
NCGC00259642-01
AS-35309
(2E)-3,7-dimethyl-2,6-octadien-1-al
2,6- OCTADIENAL, 3,7-DIMETHYL-
NS00076551
S5138
2,6-OCTADIENAL, 3,7-DIMETHYL-(E)
EN300-20399
C01499
2-CIS-3,7-DIMETHYL-2,6-OCTADIEN-1-AL
A829835
Q410888
Q-200867
F0001-1403
Z104478042
2,6-Octadienal,3,7-dimethyl-,reaction products with et alc.
GRQ
Microorganism:

Yes

IUPAC name(2E)-3,7-dimethylocta-2,6-dienal
SMILESCC(=CCCC(=CC=O)C)C
InchiInChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
FormulaC10H16O
PubChem ID638011
Molweight152.23
LogP3
Atoms11
Bonds4
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaldehydes terpenes
CHEBI-ID23316
Supernatural-IDSN0419383-01

mVOC Specific Details

Boiling Point
DegreeReference
229 °C peer reviewed
Volatilization
The Henry's Law constant for citral is estimated as 4.35X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that citral is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 28 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 12 days(SRC). Citral's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Citral is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 9.1X10-2 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)
Soil Adsorption
The Koc of citral is estimated as 83(SRC), using a water solubility of 1,340 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that citral is expected to have high mobility in soil.
Literature: (1) Yalkowsky SH, Yan H; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL p. 698 (2003) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
9.13X10-2 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available from, as of Feb 7, 2007: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links
Massbank-Links

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBrian alendronate supp.SPME/GC-MSno
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaGloeophyllum OdoratumnaGC/MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
EukaryotaSaccharomycopsis Vinisynthetic grape juiceHS-SPMEno
EukaryotaSaccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno
ProkaryotaEnterobacter Cloacaetryptone soya broth (TSB) mediaTenax/GC/MSno
ProkaryotaKlebsiella Oxytocatryptone soya broth (TSB) mediaTenax/GC/MSno


2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol

Compound Details

Synonymous names
trans-Linalool oxide
Linalool oxide A
Linalool oxide II
(E)-Linalool oxide A
trans-Linalool 3,6-oxide
E-Linalool oxide (furanoid)
Linalool A oxide
Linalool oxide 2
trans-Linalool oxide (furanoid)
(E)-Furanoid linalool oxide
trans-Furanoid linalool oxide
trans-f-Linalool oxide
Linalool oxide, trans-
(E)-LINALOOL OXIDE
Linalool oxide, (E)-
Linalool oxide II (trans, furanoid)
trans-2-Methyl-2-vinyl-5-(1-hydroxy-1-methylethyl)tetrahydrofuran
trans-2-Vinyl-2-methyl-5-(1-hydroxy-1-methylethyl)tetrahydrofuran
2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
986J3104O2
11063-78-8
3,7-Dimethyl-1,6-octadien-3-ol epoxy deriv., trans-
1,6-Octadien-3-ol, 3,7-dimethyl-, epoxy deriv., trans-
34995-77-2
Linalool oxide, trans
t-Furan linalool oxide
(E)-Linalool furanoxide
trans-Linalool furanoxide
E-Furanoid linalool oxide
Epoxydihydrolinalool I
trans-Linalool oxide (f)
(E)-Furan linalool oxide
E-Linalool oxide (furan)
trans-Linalool oxide furan
2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-, trans-
trans-Furanic linalool oxid
trans-Furanic linalool oxide
Linalool oxide (trans-THF)
trans-Linalool oxide (THF)
trans-Linalool furanoid oxide
(E)-Linalool oxide, furanoid
Linalool oxide, trans-furanoid
Linalool oxide A (trans-THF)
Tetrahydro-alpha,alpha,5-trimethyl-5-vinylfuran-2-methanol
trans-Linalool oxide (furan type)
trans-Linalool oxide (furanyl ring)
trans-Linalool oxide (furanoid form)
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, (2R,5R)-rel-
UNII-986J3104O2
EINECS 252-312-3
Linalool oxide trans
2-(5-Methyl-5-vinyltetrahydro-2-furanyl)-2-propanol
(+/-)-trans-Linalyl oxide
2-((2R,5R)-5-Methyl-5-vinyltetrahydrofuran-2-yl)propan-2-ol
2-(5-Methyl-5-vinyltetrahydro-2-furanyl)-2-propanol, trans-
trans-.alpha.,.alpha.,5-Trimethyl-5-vinyltetrahydrofurfuryl alcohol
SCHEMBL1116444
CHEMBL2252947
CHEBI:177374
Furfuryl alcohol, tetrahydro-alpha,alpha,5-trimethyl-5-vinyl-
trans-alpha,alpha,5-Trimethyl-5-vinyltetrahydrofurfuryl alcohol
FEMA NO. 3746, TRANS-
(+/-)-LINALOOL OXIDE, (E)-
Q27272093
5-Ethenyltetrahydro-a,a,5-trimethyl-(2R,5R)-rel-2-Furanmethanol
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, trans-
Microorganism:

Yes

IUPAC name2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
SMILESCC1(CCC(O1)C(C)(C)O)C=C
InchiInChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1
FormulaC10H18O2
PubChem ID6432254
Molweight170.25
LogP1.4
Atoms12
Bonds2
H-bond Acceptor2
H-bond Donor1
Chemical Classificationalcohols terpenes
CHEBI-ID177374
Supernatural-IDSN0033312-03

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces Philanthiantifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4NABoukaew and Prasertsan 2020
EukaryotaPleurotus EryngiinanaUsami et al. 2014
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaKluyveromyces MarxianusJi et al. 2024
EukaryotaSaccharomyces CerevisiaeJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces Philanthisterile wheat seedsGC-MSno
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno


(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol

Compound Details

Synonymous names
(-)-Terpinen-4-ol
20126-76-5
(-)-4-Terpineol
3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, (1R)-
4-Terpinenol, L-
(R)-Terpinen-4-ol
(R)-4-Carvomenthenol
p-Menth-1-en-4-ol, (R)-(-)-
4-Terpineol, (-)-
4-Carvomenthenol, (-)-
(R)-p-Menth-1-en-4-ol
(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, (R)-
(R)-(-)-p-Menth-1-en-4-ol
P-Meth-1-en-4-OL
8VI196VS5T
(R)-1-Isopropyl-4-methyl-3-cyclohexen-1-ol
(R)-4-Methyl-1-(1-methylethyl)-3-cyclohexen-1-ol
MFCD00167108
(1R)-4-Methyl-1-(1-methylethyl)-3-cyclohexen-1-ol
L-4-terpineneol
L-4-terpineol
L-terpinen-4-ol
UNII-8VI196VS5T
(-)-1-Isopropyl-4-methyl-3-cyclohexen-1-ol
1-Isopropyl-4-methyl-3-cyclohexen-1-ol, (R)-
CHEMBL2287509
SCHEMBL13180470
CHEBI:211664
DTXSID101033857
HY-N7927
AKOS028109360
(-)-Terpinen-4-ol, analytical standard
AS-10641
(R)-1-Isopropyl-4-methylcyclohex-3-enol
CS-0138818
NS00113751
(R)-1-isopropyl-4-methylcyclohex-3-en-1-ol
D91315
EN300-7413298
J-013035
(1R)-4-methyl-1-(propan-2-yl)cyclohex-3-en-1-ol
Q27271081
3-Cyclohexen-1-ol,4-methyl-1-(1-methylethyl)-,(1R)-
(-)-Terpinen-4-ol, >=95.0% (sum of enantiomers, GC)
inverted exclamation markY95.0% (sum of enantiomers, GC)
Microorganism:

Yes

IUPAC name(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
SMILESCC1=CCC(CC1)(C(C)C)O
InchiInChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m0/s1
FormulaC10H18O
PubChem ID5325830
Molweight154.25
LogP2.2
Atoms11
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols terpenes
CHEBI-ID211664
Supernatural-IDSN0418419-01

mVOC Specific Details


Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStigmatella Aurantiacan/an/ano
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno


2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol

Mass-Spectra

Compound Details

Synonymous names
Sabinene hydrate
4-Thujanol
546-79-2
5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol
2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol
(Z)-Sabinene hydrate
FEMA No. 3239
Bicyclo(3.1.0)hexan-2-ol, 2-methyl-5-(1-methylethyl)-
Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-
cis-Sabinenhydrate
Sabinene hydrate, cis
4-Thujanol (natural)
2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol
cis-Sabinenehydrate
Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-; 4-Thujanol (6CI,7CI,8CI); 2-Methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol; Sabinene hydrate
cis-Sabinene hydrate (cis for IP vs Me)
EINECS 208-911-7
Sabinene hydrate trans (trans for IP vs. OH)
trans-Sabinene hydrate (trans for IP vs. OH)
4-Thujanol 100 microg/mL in Acetonitrile
sabinene hydrate (cis-)
(1R,2S,5S)-5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol
SCHEMBL438844
CHEBI:16377
DTXSID40862164
(1.alpha.,2.beta.,5.alpha.)-2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol
5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol-, (1.alpha.,2.beta.,5.alpha.)-
DB-052630
NS00013239
Q27101876
Microorganism:

Yes

IUPAC name2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol
SMILESCC(C)C12CCC(C1C2)(C)O
InchiInChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3
FormulaC10H18O
PubChem ID62367
Molweight154.25
LogP2.1
Atoms11
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols terpenes
CHEBI-ID16377
Supernatural-IDSN0198243

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaHypoxylon Anthochroumnaendophytic in Bursera lancifoliaUlloa-Benítez et al. 2016
EukaryotaKluyveromyces MarxianusJi et al. 2024
EukaryotaSaccharomyces CerevisiaeJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon AnthochroumPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno


2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

Mass-Spectra

Compound Details

Synonymous names
alpha-TERPINEOL
Terpineol
98-55-5
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
p-Menth-1-en-8-ol
8000-41-7
dl-alpha-Terpineol
1-p-Menthen-8-ol
Terpenol
Terpineol 350
1-Menthene-8-ol
Terpineol schlechthin
CARVOMENTHENOL
TERPINEOLS
.alpha.-Terpineol
Terpilenol, alpha-
8006-39-1
FEMA No. 3045
FEMA Number 3045
alpha-Terpineol (natural)
1-Methyl-4-isopropyl-1-cyclohexen-8-ol
2-(4-Methyl-3-cyclohexenyl)-2-propanol
alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanol
ALFA-TERPINEOL
alpha-Terpinenol
CCRIS 3204
HSDB 5316
1-Methyl-4-isopropyl-1-cyclohexene-8-ol
EINECS 202-680-6
EINECS 219-448-5
NSC 21449
PC 593
UNII-21334LVV8W
BRN 1906604
DTXSID5026625
CHEBI:22469
AI3-00275
21334LVV8W
MFCD00001557
NSC-21449
NSC-403665
DTXCID406625
MIL-350
1-alpha-terpineol
EC 202-680-6
PC-593
(1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanol
NCGC00164431-01
DSSTox_CID_6625
alpha-TERPINEOL (PROPYL METHYL-D3)
68797-63-7
DSSTox_RID_79596
DSSTox_GSID_40775
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-
Terpene alcohol
alpha-Terpineol, analytical standard
Menth-1-en-8-ol
2-(4-methylcyclohex-3-enyl)propan-2-ol
CAS-8000-41-7
3-Cyclohexene-1-methanol,.alpha.4-trimethyl-
3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-
Caswell No. 823
TERPIN MONOHYDRATE IMPURITY A (EP IMPURITY)
TERPIN MONOHYDRATE IMPURITY A [EP IMPURITY]
UNII-R53Q4ZWC99
-terpineol
Alfa_terpineol
MFCD00075926
alpha -Terpineol
DL a-terpineol
alphaTERPINEOL
Menthen-8-ol
203633-12-9
EINECS 232-268-1
EPA Pesticide Chemical Code 067005
1-p-Menthen-8-
.ALPHA.TERPINEOL
TERPINEOL, ALPHA
(+)-.alpha.-Terpineol
alpha-TERPINEOL (II)
3-Cyclohexene-1-methanol, .alpha.,.alpha.4-trimethyl-
EC 232-268-1
alpha-Terpineol, AldrichCPR
SCHEMBL28466
ALPHA-TERPINEOL [FCC]
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)-
ALPHA-TERPINEOL [HSDB]
CHEMBL449810
R53Q4ZWC99
.ALPHA.-TERPINEOL [II]
.ALPHA.-TERPINEOL [MI]
ALFA-TERPINEOL [WHO-DD]
>80.0%(GC,sum of isomers)
.ALPHA.-TERPINEOL [FHFI]
HY-N5142
NSC21449
Tox21_112118
Tox21_200112
Tox21_302298
c0669
MFCD00166983
NSC403665
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, sodium salt, (1S)-
AKOS015840815
alpha-Terpineol, 90%, technical grade
MCULE-9798755896
SB45068
CAS-98-55-5
USEPA/OPP Pesticide Code: 067003
NCGC00248528-01
NCGC00255464-01
NCGC00257666-01
SY117295
alpha-Terpineol 1000 microg/mL in Acetone
DB-059206
+/--Terpineol 1000 microg/mL in n-Hexane
CS-0032554
NS00002240
T0022
T0984
2-(4-methyl-1-cyclohex-3-enyl)-propan-2-ol
D70165
EN300-125883
(1R)-a,a,4-trimethyl-3-cyclohexene-1-methanol
(S)-2-(4-Methyl-3-cyclohexen-1-yl)-2-propanol
SR-01000944873
J-500272
SR-01000944873-1
W-100076
3-cyclohexene-1-methanol, alpha, alpha, 4-trimethyl-
Q27109437
F0001-2319
Flavor and Extract Manufacturers' Association No. 3045
Z1255427148
alpha-Terpineol, primary pharmaceutical reference standard
3-CYCLOHEXENE-1-METHANOL, ALPHA., alpha, 4-TRIMETHYL-
3-CYCLOHEXENE-1-METHANOL, ALPHA., .ALPHA., 4-TRIMETHYL-
3-CYCLOHEXENE-1-METHYANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, (S)-
22347-88-2
Microorganism:

Yes

IUPAC name2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
SMILESCC1=CCC(CC1)C(C)(C)O
InchiInChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
FormulaC10H18O
PubChem ID17100
Molweight154.25
LogP1.8
Atoms11
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols terpenes
CHEBI-ID22469
Supernatural-IDSN0420414

mVOC Specific Details

Boiling Point
DegreeReference
218 °C peer reviewed
Volatilization
The Henry's Law constant for alpha-terpineol is reported as 2.23X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that alpha-terpineol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 20 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 150 days(SRC). alpha-Terpineol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). alpha-Terpineol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.0423 mm Hg at 24 deg C(3).
Literature: (1) Copolovici LO, Niinemets U; Chemosphere 61: 1390-400 (2005) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Li J, Perdue, EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)
Solubility
1:8 OR MORE IN 50% ALCOHOL; SOL IN PROPYLENE GLYCOL
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 522
Literature: #Very soluble in benzene, acetone
Literature: Lide, D.R. CRC Handbook of Chemistry and Physics 88TH Edition 2007-2008. CRC Press, Taylor & Francis, Boca Raton, FL 2007, p. 3-468
Literature: #Very soluble in alcohol, ether
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. 4151
Literature: #In water, 7100 mg/L at 25 deg C
Literature: Li J, Perdue EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of alpha-terpineol can be estimated to be 80(SRC). According to a classification scheme(2), this estimated Koc value suggests that alpha-terpineol is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 29, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.0423 mm Hg at 24 deg CLi J, Perdue EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaHypoxylon AnthochroumNAMacías-Rubalcava et al. 2018
EukaryotaPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al. 2000
EukaryotaHypoxylon Anthochroumnaendophytic in Bursera lancifoliaUlloa-Benítez et al. 2016
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/aNADickschat et al. 2005_3
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaSerratia Proteamaculansn/aNAErcolini et al. 2009
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
ProkaryotaStigmatella Aurantiacan/aNASchulz and Dickschat 2007
ProkaryotaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaStenotrophomonas MaltophiliaReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus Pumiluspromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
ProkaryotaEscherichia Colipromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
EukaryotaSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesCampos Ziegenbein et al. 2006
EukaryotaAntrodia CinnamomeananaLu et al. 2014
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaMeyerozyma GuilliermondiiNANAZhao et al. 2022
EukaryotaSaccharomycopsis ViniNANAZhao et al. 2022
EukaryotaSaturnispora DiversaNANAZhao et al. 2022
EukaryotaMeyerozyma GuilliermondiiXiong et al. 2023
EukaryotaKluyveromyces MarxianusJi et al. 2024
EukaryotaSaccharomyces CerevisiaeJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes
EukaryotaPiptoporus BetulinusnaGC/MSno
EukaryotaHypoxylon AnthochroumPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSno
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaPseudomonas Fragin/an/ano
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaEscherichia ColiTSASPME-GCno
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaSpongiporus LeucomallellusnaGC/MSno
EukaryotaAntrodia CinnamomeaPDAGC/MSyes
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
EukaryotaMeyerozyma Guilliermondiisynthetic grape juiceHS-SPMEno
EukaryotaSaccharomycopsis Vinisynthetic grape juiceHS-SPMEno
EukaryotaSaturnispora Diversasynthetic grape juiceHS-SPMEno
EukaryotaMeyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno


4-methyl-1-propan-2-ylcyclohex-3-en-1-ol

Mass-Spectra

Compound Details

Synonymous names
4-Carvomenthenol
Terpinen-4-ol
562-74-3
4-Terpineol
p-Menth-1-en-4-ol
1-Terpinen-4-ol
Terpinenol-4
1-p-Menthen-4-ol
Terpene-4-ol
1-Menthene-4-ol
TERPINENE-4-OL
1-para-Menthen-4-ol
3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-
rac Terpinen-4-ol
(+-)-p-Menth-1-en-4-ol
(+/-)-Terpinen-4-ol
Terpinenolu-4
Terpineol-4
4-Methyl-1-(1-methylethyl)-3-cyclohexen-1-ol
dl-4-Terpineol
FEMA No. 2248
Terpinine-4-ol
(+/-)-4-Terpineol
para-Menth-1-en-4-ol
4-Carvomenthenol (natural)
1-Methyl-4-isopropyl-1-cyclohexen-4-ol
4-Methyl-1-isopropyl-3-cyclohexen-1-ol
Terpin-4-en-1-ol
CCRIS 9067
NSC 147749
4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
EINECS 209-235-5
EINECS 248-910-9
UNII-L65MV77ZG6
4-Methyl-1-(propan-2-yl)cyclohex-3-en-1-ol
alpha-terpinen-4-ol
BRN 1906603
L65MV77ZG6
1-isopropyl-4-methylcyclohex-3-en-1-ol
CHEBI:78884
NSC-147749
DTXSID4044824
HSDB 8264
(1)-1-(Isopropyl)-4-methylcyclohex-3-en-1-ol
4-06-00-00250 (Beilstein Handbook Reference)
4-TERPINEOL, (+/-)-
TERPINEN-4-OL,(+/-)-
MFCD00001562
1-(ISOPROPYL)-4-METHYLCYCLOHEX-3-EN-1-OL
METHYL-1-(1-METHYLETHYL)-3-CYCLOHEXEN-1-OL
L-4-terpineneol
L-4-terpineol
L-terpinen-4-ol
Terpinenolu-4 [Czech]
(+/-)-1-Isopropyl-4-methyl-3-cyclohexen-1-ol
Origanol
Terpinen 4-ol
1-isopropyl-4-methylcyclohex-3-enol
(-)-1-Isopropyl-4-methyl-3-cyclohexen-1-ol
alpha -Terpinen-4-ol
1-Isopropyl-4-methyl-3-cyclohexen-1-ol, (R)-
1-isopropyl-4-methyl-cyclohex-3-en-1-ol
4-TERPINEOL [INCI]
SCHEMBL22344
TERPINEN-4-OL [FCC]
(-)-p-Menth-1-en-4-ol
CHEMBL507795
4-CARVOMENTHENOL [FHFI]
DTXCID2024824
FEMA 2248
(+/-)-p-Menth-1-en-4-ol
Tox21_301785
AC1341
NSC147749
s6118
AKOS015903412
CS-W018032
DB12816
HY-W017316
MCULE-6511194668
SB44714
4-Carvomenthenol, >=95%, FCC, FG
NCGC00256250-01
1-Isopropyl-4-methyl-3-cyclohexen-1-ol
4-Carvomenthenol, natural, >=95%, FG
AS-56462
CAS-562-74-3
SY012857
DB-066063
DB-234185
M0319
NS00013199
T1993
C17073
A918559
Q416114
(-)-4-Hydroxy-4-isopropyl-1-methyl-1-cyclohexene
(+/-)-4-Hydroxy-4-isopropyl-1-methyl-1-cyclohexene
Terpinen 4-ol, primary pharmaceutical reference standard
Microorganism:

Yes

IUPAC name4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
SMILESCC1=CCC(CC1)(C(C)C)O
InchiInChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3
FormulaC10H18O
PubChem ID11230
Molweight154.25
LogP2.2
Atoms11
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols terpenes
CHEBI-ID78884
Supernatural-IDSN0418419

mVOC Specific Details

Boiling Point
DegreeReference
209 deg CLide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V3: 2311
Volatilization
The Henry's Law constant for 4-terpineol is estimated as 3.2X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-terpineol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 15 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 110 days(SRC). 4-Terpineol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 4-Terpineol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.04 mm Hg(SRC), determined from a fragment constant method(1).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Solubility
In water, 3.87X10+2 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 4-terpineol can be estimated to be 80(SRC). According to a classification scheme(2), this estimated Koc value suggests that 4-terpineol is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.04 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaHypoxylon InvadensNADickschat et al. 2018
EukaryotaAntrodia CinnamomeananaLu et al. 2014
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/aNADickschat et al. 2005_3
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
EukaryotaKluyveromyces MarxianusJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon InvadensYMG mediumCSLA-GCMSno
EukaryotaAntrodia CinnamomeaPDAGC/MSyes
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaCytophaga-Flavobacterium-Bacteroidesn/an/ano
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno


3,7,11-trimethyldodeca-1,6,10-trien-3-ol

Compound Details

Synonymous names
Nerolidol (natural)
Peruviol
Stirrup
(Z)-Nerolidol
(+)-Nerolidol
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-
DTXSID3022247
UNII-89V5Z0JC8J
UNII-QR6IP857S6
trans nerolidol
Methylvinylhomogeranyl carbinol
FEMA No. 2772
CCRIS 7678
(E)-nerolidol
EINECS 205-540-2
EINECS 230-597-5
NSC 60598
EPA Pesticide Chemical Code 128910
NSC 406963
BRN 1724135
AI3-10519
EC 230-597-5
3-01-00-02042 (Beilstein Handbook Reference)
CHEBI:7524
DTXCID602247
QR6IP857S6
FEMA 2772
Humbertiol?
(+/-)-Nerolidol
Spectrum_001222
SpecPlus_000303
Spectrum2_001507
Spectrum3_001539
Spectrum4_001720
KBioGR_002080
KBioSS_001702
DivK1c_006399
SPBio_001553
FCI-119B
CHEMBL3182436
NEROLIDOL, (+/-)-
KBio1_001343
KBio2_001702
KBio2_004270
KBio2_006838
KBio3_002458
MCULE-1929267041
( inverted exclamation markA)-Nerolidol
NCGC00344526-01
DB-070076
NS00075673
3-Hydroxy-3,7,11-trimethyl-1,6,10-dodectriene
Nerolidol (Mixture of cis and trans, Stablized with a-tocopherol)
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-; Nerolidol (6CI); 3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol; (+/-)-Nerolidol; FCI 119b; Nerodilol
Microorganism:

Yes

IUPAC name3,7,11-trimethyldodeca-1,6,10-trien-3-ol
SMILESCC(=CCCC(=CCCC(C)(C=C)O)C)C
InchiInChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3
FormulaC15H26O
PubChem ID8888
Molweight222.37
LogP4.6
Atoms16
Bonds7
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols terpenes
CHEBI-ID7524
Supernatural-IDSN0092999

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida AlbicansNANAMartins et al. 2007
EukaryotaCandida DubliniensisNANAMartins et al. 2007
EukaryotaCandida AlbicansNANAFitzgerald et al. 2022
EukaryotaFusarium CulmorumNASchmidt et al. 2018
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
EukaryotaTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al. 2012
EukaryotaSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesCampos Ziegenbein et al. 2006
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaStigmatella Aurantiacan/aNASchulz and Dickschat 2007
EukaryotaTrichoderma Harzianumn/aNAZhang et al. 2014
EukaryotaLaccaria Bicolorn/aNAMueller et al. 2013
EukaryotaPaxillus Involutusn/aNAMueller et al. 2013
EukaryotaArmillaria Mellean/aNAMueller et al. 2013
EukaryotaPholiota Squarrosan/aNAMueller et al. 2013
EukaryotaStropharia Rugosoannulatan/aNAMueller et al. 2013
EukaryotaTrichoderma Viriden/aNAMueller et al. 2013
EukaryotaTrichoderma Atroviriden/aNAStoppacher et al. 2010
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaKluyveromyces MarxianusJi et al. 2024
EukaryotaSaccharomyces CerevisiaeJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansRPMISPME/GC-MSno
EukaryotaCandida DubliniensisRPMISPME/GC-MSno
EukaryotaCandida AlbicansYPDSPME/GC-MSno
EukaryotaFusarium CulmorumKing`s B agarUPLC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
EukaryotaSpongiporus LeucomallellusnaGC/MSno
ProkaryotaStigmatella Aurantiacan/an/ano
EukaryotaTrichoderma HarzianumMinimal mediaSPME/GC-MSno
EukaryotaLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaPaxillus InvolutusMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno


3,7-dimethylocta-1,6-dien-3-ol

Mass-Spectra

Compound Details

Synonymous names
Linalool
78-70-6
3,7-Dimethylocta-1,6-dien-3-ol
Linalol
LINALYL ALCOHOL
3,7-Dimethyl-1,6-octadien-3-ol
allo-Ocimenol
beta-Linalool
(+-)-Linalool
Phantol
1,6-Octadien-3-ol, 3,7-dimethyl-
p-Linalool
Linanool
Linolool
(+/-)-linalool
2,6-Dimethyl-2,7-octadien-6-ol
2,6-Dimethylocta-2,7-dien-6-ol
.beta.-Linalool
2,6-Dimethyl-2,7-octadiene-6-ol
FEMA No. 2635
NSC 3789
(RS)-Linalool
DIABEXALL
(1)-3,7-Dimethyl-1,6-octadien-3-ol
CHEBI:17580
LINALOOL, DL-
NSC-3789
3,7-dimethyl-octa-1,6-dien-3-ol
D81QY6I88E
DTXSID7025502
LINALOOL, (+/-)-
NSC3789
L 260-2
MFCD00008906
Linalool 1000 microg/mL in Isopropanol
LINALOOL (USP-RS)
LINALOOL [USP-RS]
(+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene
Licareol
22564-99-4
Linalool (natural)
DTXCID305502
Caswell No. 526A
(S)-Linalol
dl-Linalool
FEMA Number 2635
CAS-78-70-6
CCRIS 6557
HSDB 645
EINECS 201-134-4
EINECS 245-083-6
EPA Pesticide Chemical Code 128838
BRN 1721488
UNII-D81QY6I88E
AI3-00942
Linalool b
|A-Linalool
Linalool, .beta.
Linalool,(S)
( )-linalool
Linalool, 97%
2,7-Octadien-6-ol, 2,6-dimethyl-
LINALOOL OIL
3,6-octadien-3-ol
2,7-octadiene-6-ol
LINALOOL [FHFI]
LINALOOL [HSDB]
LINALOOL [INCI]
LINALOOL [FCC]
2,7-dien-6-ol
3,6-dien-3-ol
dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene
LINALOOL [MI]
LINOLOOL (D)
(.+/-.)-Linalool
LINALOOL [WHO-DD]
EC 201-134-4
SCHEMBL20316
Linalool, analytical standard
0-01-00-00462 (Beilstein Handbook Reference)
MLS002152908
CHEMBL25306
LINALOOL, (+-)-
GTPL2469
NDI 595 [FDMS]
FEMA 2635
NDI 595
HMS2268E18
HMS3886G07
Linalool, >=97%, FCC, FG
1, 3,7-dimethyl-, (-)-
HY-N0368
WLN: 1U1XQ1&3UY1&1
Tox21_201658
Tox21_303037
AC-551
BBL027734
BDBM50459894
MFCD09025547
s4957
STL373777
3,7-Dimethyl-1, 6-octadien-3-ol
AKOS015901617
( inverted exclamation markA)-Linalool
CCG-266253
MCULE-2407576698
NCGC00091688-01
NCGC00091688-02
NCGC00091688-03
NCGC00091688-04
NCGC00257060-01
NCGC00259207-01
AS-56047
SMR000112394
SY264412
WLN: 1Y1&U3XQ1&1U1 -,-
DB-062552
(+/-)-3,7-Dimethyl-1,6-octadien-3-ol
CS-0008916
L0048
NS00005142
C03985
EN300-174564
F17676
Linalool, primary pharmaceutical reference standard
Q410932
CU-01000013132-2
Q-201306
Linalool, certified reference material, TraceCERT(R)
Z1255402668
Microorganism:

Yes

IUPAC name3,7-dimethylocta-1,6-dien-3-ol
SMILESCC(=CCCC(C)(C=C)O)C
InchiInChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
FormulaC10H18O
PubChem ID6549
Molweight154.25
LogP2.7
Atoms11
Bonds4
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols terpenes
CHEBI-ID17580
Supernatural-IDSN0042830

mVOC Specific Details

Boiling Point
DegreeReference
198 °C peer reviewed
Volatilization
The Henry's Law constant for linalool is 2.15X10-5 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that linalool is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 54 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 20 days(SRC). Linalool's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Linalool exists as a liquid environmentally at standard temperature and pressure, therefore, it is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.159 mm Hg(3).
Literature: (1) Altschuh J et al; Chemosphere 39: 1871-87 (1999) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Li J et al; Environ International 24: 353-58 (1998)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of linalool can be estimated to be 75(SRC). According to a classification scheme(2), this estimated Koc value suggests that linalool is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 20, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.159 mm Hg at 23.5 deg CLi J et al; Environ International 24: 353-358 (1998)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANAHeddergott et al. 2014
EukaryotaAspergillus FischeriNADickschat et al. 2018
EukaryotaClitocybe OdoraFranceBreheret et al. 1997
EukaryotaHydnum RepandumFranceBreheret et al. 1997
EukaryotaLactarius SalmonicolorFranceBreheret et al. 1997
EukaryotaLepista NudaFranceBreheret et al. 1997
EukaryotaMycena RoseaFranceBreheret et al. 1997
EukaryotaTricholoma SulphureumFranceBreheret et al. 1997
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
EukaryotaRhizoctonia Solanidirectional root growth of Brassica rapa rootsNAMoisan et al. 2021
ProkaryotaStreptomyces Caviscabiesn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
ProkaryotaSerratia Proteamaculansn/aNAErcolini et al. 2009
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
EukaryotaPaxillus Involutusn/aNAMueller et al. 2013
EukaryotaArmillaria Mellean/aNAMueller et al. 2013
EukaryotaStropharia Rugosoannulatan/aNAMueller et al. 2013
EukaryotaPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al. 2000
ProkaryotaPseudomonas Sp.NANAEtminani et al. 2022
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaMetschnikowia PulcherrimaNANALjunggren et al. 2019
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
ProkaryotaLactobacillus PlantarumNANAZhang et al. 2022
EukaryotaSaccharomycopsis ViniNANAZhao et al. 2022
ProkaryotaLactiplantibacillus PlantarumChen et al. 2023
ProkaryotaBacillus ThuringiensisKoilybayeva et al. 2023
ProkaryotaBacillus SafensisKoilybayeva et al. 2023
EukaryotaKluyveromyces MarxianusJi et al. 2024
EukaryotaSaccharomyces CerevisiaeJi et al. 2024
ProkaryotaEnterobacter CloacaeTallon et al. 2023
ProkaryotaKlebsiella OxytocaTallon et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBrian alendronate supp.SPME/GC-MSno
EukaryotaAspergillus Fischerimedium 129CLSA-GCMSyes
EukaryotaClitocybe Odoraforest soilsolvent extraction, headspace, GCMSno
EukaryotaHydnum Repandumforest soilsolvent extraction, headspace, GCMSno
EukaryotaLactarius Salmonicolorforest soilsolvent extraction, headspace, GCMSno
EukaryotaLepista Nudaforest soilsolvent extraction, headspace, GCMSno
EukaryotaMycena Roseaforest soilsolvent extraction, headspace, GCMSno
EukaryotaTricholoma Sulphureumforest soilsolvent extraction, headspace, GCMSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaRhizoctonia Solani1/5th PDA mediumGC-MSno
ProkaryotaStreptomyces Caviscabiesn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaCarnobacterium Divergensn/an/ano
ProkaryotaPseudomonas Fragin/an/ano
EukaryotaPaxillus InvolutusMelin-Nor krans synthetic medium (modified)Headspace ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaPiptoporus BetulinusnaGC/MSno
ProkaryotaPseudomonas Sp.nutrient agar (NA)GC–MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaMetschnikowia Pulcherrimaliquid YPD mediumGC-MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
ProkaryotaLactobacillus Plantarumchickpea milkUHPLC/MSno
EukaryotaSaccharomycopsis Vinisynthetic grape juiceHS-SPMEno
ProkaryotaLactiplantibacillus Plantarumfermentation of ginkgo kernel juiceGC-IMSno
ProkaryotaBacillus Thuringiensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
ProkaryotaBacillus Safensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno
ProkaryotaEnterobacter Cloacaetryptone soya broth (TSB) mediaTenax/GC/MSno
ProkaryotaKlebsiella Oxytocatryptone soya broth (TSB) mediaTenax/GC/MSno


2-bromododecane

Compound Details

Synonymous names
2-Bromododecane
13187-99-0
Dodecane, 2-bromo-
2-Bromo dodecane
2-bromo-dodecane
EINECS 236-142-7
SCHEMBL1001129
DTXSID40927848
NSC97571
NSC 97571
NSC-97571
AKOS009156715
2-Bromododecane, technical grade, 85%
NS00051664
J-006076
Microorganism:

Yes

IUPAC name2-bromododecane
SMILESCCCCCCCCCCC(C)Br
InchiInChI=1S/C12H25Br/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3
FormulaC12H25Br
PubChem ID98299
Molweight249.23
LogP6.5
Atoms13
Bonds9
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes saturated hydrocarbons

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Megateriumnarhizosphere of bean plants, southern ItalyGiorgio et al. 2015
ProkaryotaPseudomonas Brassicacearumnarhizosphere of bean plants, southern ItalyGiorgio et al. 2015
ProkaryotaPseudomonas Putidanarhizosphere of bean plants, southern ItalyGiorgio et al. 2015
EukaryotaKluyveromyces MarxianusJi et al. 2024
EukaryotaSaccharomyces CerevisiaeJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus MegateriumKing's B AgarSPME-GC/MSno
ProkaryotaPseudomonas BrassicacearumKing's B AgarSPME-GC/MSno
ProkaryotaPseudomonas PutidaKing's B AgarSPME-GC/MSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno


1-methoxy-4-prop-2-enylbenzene

Mass-Spectra

Compound Details

Synonymous names
Estragole
4-Allylanisole
140-67-0
1-Allyl-4-methoxybenzene
p-Allylanisole
Methyl chavicol
Esdragole
Esdragol
Estragol
Tarragon
Chavicol methyl ether
4-Methoxyallylbenzene
Esdragon
Isoanethole
Anisole, p-allyl-
Terragon
p-Methoxyallylbenzene
4-Allylmethoxybenzene
Benzene, 1-methoxy-4-(2-propenyl)-
p-Allylmethoxybenzene
Chavicyl methyl ether
4-Allyl-1-methoxybenzene
Chavicol, O-methyl-
3-(p-Methoxyphenyl)propene
1-methoxy-4-prop-2-enylbenzene
1-METHOXY-4-(2-PROPENYL)BENZENE
Methylchavicol
Estragole (natural)
1-allyl-4-methoxy-benzene
FEMA No. 2411
FEMA Number 2411
NCI-C60946
Allylphenyl methyl ether, p-
MFCD00008653
CCRIS 1317
1-Methoxy-4-(2-propen-1-yl)benzene
NSC 404113
HSDB 5412
Methyl chavicole
p-Allylphenyl methyl ether
UNII-9NIW07V3ET
Ether, p-allylphenyl methyl
EINECS 205-427-8
9NIW07V3ET
Chavicol, methyl-
EPA Pesticide Chemical Code 062150
BRN 1099454
DTXSID0020575
3-(4-Methoxyphenyl)-1-propene
AI3-16052
1-methoxy-4-(2-propenyl)-benzene
NSC-404113
DTXCID40575
Benzene, 1-methoxy-4-(2-propen-1-yl)-
CHEBI:4867
AUSTL 21320
4-06-00-03817 (Beilstein Handbook Reference)
Benzene, 1-methoxy, 4-prop-2-enyl
1-methoxy-4-(prop-2-en-1-yl)benzene
77525-18-9
CAS-140-67-0
Isoanthethole
Esteragol
Methyl-Chavicol
4-allylanisol
para-allylanisole
p-Allyl-Anisole
O-Methyl-Chavicol
p-methoxy allylbenzene
4-methoxy allylbenzene
ESTRAGOLE [FCC]
4-Allylanisole, 98%
ESTRAGOLE [MI]
ESTRAGOLE [FHFI]
Estragol (methylchavicol)
Methyl chavicole (estragole)
SCHEMBL57204
MLS001065575
Para-allylanisole (estragole)
Estragole, analytical standard
SPECTRUM1505117
WLN: 1U2R DO1
CHEMBL470671
FEMA 2411
4-Allylanisole, >=98%, FCC
HMS2268E24
4-Allylanisole, analytical standard
HY-N5060
Tox21_202387
Tox21_302930
NSC404113
s5339
1 -Methoxy-4-(2-propenyl) benzene
AKOS000121300
CCG-214642
1-Methoxy-4-(2-propen-1-yl)-Benzene
1-Methoxy-4-(2-propenyl)benzene, 9CI
NCGC00091434-01
NCGC00091434-02
NCGC00091434-03
NCGC00256481-01
NCGC00259936-01
AS-35303
SMR000112379
4-Allylanisole, purum, >=97.0% (GC)
DB-205551
A0702
CS-0032231
NS00011937
EN300-21676
1-METHOXY-4-(2-PROPENYL)BENZENE [HSDB]
BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL
Q419495
SR-01000838348
BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL
J-007415
SR-01000838348-2
InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H
1407-27-8
Microorganism:

Yes

IUPAC name1-methoxy-4-prop-2-enylbenzene
SMILESCOC1=CC=C(C=C1)CC=C
InchiInChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
FormulaC10H12O
PubChem ID8815
Molweight148.2
LogP3.4
Atoms11
Bonds3
H-bond Acceptor1
H-bond Donor0
Chemical Classificationalkenes aromatic compounds benzenoids ethers phenylpropenes
CHEBI-ID4867
Supernatural-IDSN0469008

mVOC Specific Details

Boiling Point
DegreeReference
216 °C peer reviewed
Volatilization
The Henry's Law constant for 1-methoxy-4-(2-propenyl)benzene is estimated as 4.6X10-4 atm-cu m/mole(SRC) developed using a fragment constant estimation method(1). This Henry's Law constant indicates that 1-methoxy-4-(2-propenyl)benzene is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 6 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 6 days(SRC). 1-Methoxy-4-(2-propenyl)benzene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Methoxy-4-(2-propenyl)benzene has an estimated vapor pressure of 0.17 mm Hg(SRC), determined from a fragment constant method(3) and exists as a liquid under environmental conditions; therefore, 1-methoxy-4-(2-propenyl)benzene may volatilize from dry soil(SRC).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 1-methoxy-4-(2-propenyl)benzene can be estimated to be 520(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-methoxy-4-(2-propenyl)benzene is expected to have low mobility in soil(SRC).
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStenotrophomonas Maltophiliaantifungal activity against Colletotrichum nymphaeaeisolated from the healthy strawberry leaf in Kamyaran, Kurdistan provinceAlijani et al. 2020
EukaryotaPenicillium Sp.n/aNABjurman et al. 1997
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
EukaryotaMeyerozyma GuilliermondiiXiong et al. 2023
EukaryotaKluyveromyces MarxianusJi et al. 2024
EukaryotaSaccharomyces CerevisiaeJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStenotrophomonas MaltophiliaNA mediaGC-MSno
EukaryotaPenicillium Sp.n/an/ano
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaMeyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno


Formic Acid

Mass-Spectra

Compound Details

Synonymous names
formic acid
Methanoic acid
64-18-6
Formylic acid
Aminic acid
Bilorin
Hydrogen carboxylic acid
Formisoton
Formira
Myrmicyl
Collo-bueglatt
Collo-didax
Acide formique
Add-F
Ameisensaeure
C1 acid
Formic acid (natural)
RCRA waste number U123
Mierenzuur
Acido formico
Formicum acidum
Kwas metaniowy
Kyselina mravenci
FEMA No. 2487
Mierenzuur [Dutch]
Ameisensaure
HCOOH
Sybest
Ameisensaeure [German]
Acide formique [French]
Acido formico [Italian]
Kwas metaniowy [Polish]
CCRIS 6039
EPA Pesticide Chemical Code 214900
Kyselina mravenci [Czech]
AI3-24237
Methanoic acid monomer
methoic acid
HCO2H
HSDB 1646
RCRA waste no. U123
EINECS 200-579-1
UNII-0YIW783RG1
UN1779
0YIW783RG1
CHEBI:30751
H-COOH
MFCD00003297
Wonderbond Hardener M 600L
DTXSID2024115
EC 200-579-1
aminate
formylate
methanoate
VARROMED COMPONENT FORMIC ACID
Formic acid [UN1779] [Corrosive]
FORMIC ACID COMPONENT OF VARROMED
hydrogen carboxylate
Formic-D acid ( in H2O) >98.0 Atom % D
FORMIC ACID (MART.)
FORMIC ACID [MART.]
FORMIC ACID (USP-RS)
FORMIC ACID [USP-RS]
FORMIC ACID (EP MONOGRAPH)
FORMIC ACID [EP MONOGRAPH]
MFCD00037363
FORMIC ACID (EMA EPAR VETERINARY)
FORMIC ACID [EMA EPAR VETERINARY]
carboxy
Amasil
Acidum formicum
forrnic acid
Provita Konquest
Pleo Form
Formic acid, natural
Formic Acid, 85%
Formic Acid, 97+%
ProvitaHoofsure Endurance
Formic Acid, ACS Grade
FORMIC ACID [MI]
bmse000203
FORMIC ACID [FCC]
Formic acid, 95-97%
FORMIC ACID [FHFI]
FORMIC ACID [HSDB]
FORMIC ACID [INCI]
Formic acid, LC/MS Grade
FORMIC ACID [VANDF]
FEMA No 2487
Formic acid, p.a., 85%
FORMIC ACID [WHO-DD]
Provita Hoofsure Endurance XL
Formic acid, AR, >=90%
Formic acid, AR, >=98%
Formic acid, LR, >=85%
Formic acid, LR, >=98%
FORMICUM ACIDUM [HPUS]
CHEMBL116736
DTXCID904115
Formic acid, purum, >=85%
CHEBI:36036
DTXSID30180329
CHEBI:191874
Provita Hoofsure Endurance Express
AMY11055
BCP23013
Formic Acid Ampoules (LCMS Grade)
Formic acid, >=95%, FCC, FG
Formic acid, technical grade, 85%
Formic acid, ACS reagent, >=96%
STL264243
Formic acid, reagent grade, >=95%
AKOS000269044
Formic acid, ACS reagent, 88-91%
CCG-266004
DB01942
MCULE-7175589186
UN 1779
Formic acid, ACS reagent, >=96.0%
USEPA/OPP Pesticide Code: 214900
NCGC00248718-01
BP-21436
E236
SY078334
DB-029851
Formic acid-D2, 95 wt% solution in D2O
C20:3
F0513
F0654
Formic acid 1000 microg/mL in Acetonitrile
Formic acid, JIS special grade, >=98.0%
Formic acid, Vetec(TM) reagent grade, 95%
NS00008563
NS00120341
C00058
Formic acid, SAJ first grade, 88.0-89.5%
InChI=1/CH2O2/c2-1-3/h1H,(H,2,3
A834666
Q161233
Formic acid, p.a., ACS reagent, 98.0-100.0%
J-521387
Q27110013
F1908-0082
Z104475998
Formate standard for IC, 1.000 g/L in H2O, analytical standard
Formic acid, puriss. p.a., ACS reagent, reag. Ph. Eur., >=98%
Formic acid, United States Pharmacopeia (USP) Reference Standard
Formic acid, puriss., meets analytical specifications of DAC, FCC, 98.0-100%
82069-14-5
Microorganism:

Yes

IUPAC nameformic acid
SMILESC(=O)O
InchiInChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
FormulaCH2O2
PubChem ID284
Molweight46.025
LogP-0.2
Atoms3
Bonds0
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids carboxylic acids organic acids
CHEBI-ID30751
Supernatural-IDSN0022251

mVOC Specific Details

Boiling Point
DegreeReference
101 °C peer reviewed
Volatilization
The Henry's Law constant for formic acid is 1.67X10-7 atm-cu m/mole(1). This Henry's Law constant indicates that formic acid is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 150 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 1100 days(SRC). Formic acid's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of formic acid from dry soil surfaces may exist(SRC) based upon a vapor pressure of 42.6 mm Hg(3).
Literature: (1) Gaffney JS et al; Environ Sci Technol 21: 519-523 (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds. American Institute of Chemical Engineers (1985)
Soil Adsorption
The Koc of formic acid is estimated as 1(SRC), using a log Kow of -0.54(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that formic acid is expected to have very high mobility in soil. The pKa of formic acid is 3.75(4), indicating that this compound will primarily exist in anion form in the environment and anions generally do not adsorb more strongly to organic carbon and clay than their neutral counterparts(5).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 3 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Riddick JA et al; Organic Solvents. Techniques of Chemistry 2. 4th ed, New York, NY: Wiley-Interscience p. 360 (1986) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
42.59 mm Hg at 25 deg C /Extrapolated/Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989., p. 4904
MS-Links
MS-Links
1D-NMR-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Azotoformansstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaClostridium Sp.n/aNAStotzky and Schenck 1976
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaKluyveromyces MarxianusJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AzotoformansM+S (Murashige and Skoog) mediaSPME/GC-MSno
ProkaryotaClostridium Sp.n/an/ano
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno


[(2E)-3,7-dimethylocta-2,6-dienyl] Acetate

Compound Details

Synonymous names
GERANYL ACETATE
105-87-3
Geraniol acetate
Geranyl ethanoate
Acetic acid, geraniol ester
trans-3,7-Dimethyl-2,6-octadien-1-yl acetate
Geranyl acetate A
trans-Geraniol acetate
[(2E)-3,7-dimethylocta-2,6-dienyl] acetate
Acetic acid, geranyl ester
beta-Geranyl Acetate
NCI-C54728
trans-geranyl acetate
FEMA No. 2509
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-
CHEBI:5331
Meraneine
FEMA Number 2509
trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate
3,7-dimethylocta-2,6-dien-1-yl acetate
Geranyl acetate (natural)
NSC 2584
3,7-Dimethyl-2-trans, 6-octadienyl acetate
UNII-3W81YG7P9R
CCRIS 877
3W81YG7P9R
HSDB 586
DTXSID0020654
(2E)-geranyl acetate
2,6-Dimethyl-2,6-octadiene-8-yl acetate
16409-44-2
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-
NSC-2584
EINECS 203-341-5
Acetic acid geraniol ester
(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate
trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate
3,7-Dimethyloctyl acetate, tetradehydro derivative
BRN 1722815
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-
DTXCID80654
3,7-Dimethyl-2,6-octadien-1-ol acetate
AI3-00207
trans-3,7-Dimethyl-2,6-octadienyl acetate
68311-13-7
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate
(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate
EC 203-341-5
4-02-00-00204 (Beilstein Handbook Reference)
3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-
MFCD00015037
1-Octanol, 3,7-dimethyl-, acetate, tetradehydro deriv.
3,7-Dimethyl-2E,6-octadienyl acetate
Geranyl acetate, cis-
1-Octanol, 3,7-dimethyl-, 1-acetate, tetradehydro deriv.
3,7-Dimethyl-2,6-octadien-1-ylacetate
Geranyl acetate 100 microg/mL in Acetonitrile
(E)-3,7-Dimethyl-2,6-octadien-1-yl acetate
2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate
2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-
geranylacetat
3,7-Dimethyl-2,6-octadienyl acetate
CAS-105-87-3
Trans-3,7-dimethyl-2,6-octadien-1-yl ethanoate
acetyl geraniol
geranoil acetate
b-Geranyl Acetate
EINECS 269-749-0
Geranyl acetate, FCC
Nerol acetate (6CI)
starbld0004670
3, 6-octadienyl acetate
Geranyl acetate, >=97%
trans-3,7-dimethyl-2,6-octadien-1-ol acetate
SCHEMBL56913
SCHEMBL56914
8022-83-1
MLS002152904
GERANYL ACETATE [FCC]
GERANYL ACETATE [FHFI]
GERANYL ACETATE [HSDB]
GERANYL ACETATE [INCI]
Geranyl acetate, natural, FCC
CHEMBL1369384
CHEBI:88568
FEMA 2509
NSC2584
HMS2268G10
Geranyl acetate, mixture of isomers
HY-N7070
trans-3,6-octadien-1-ol, acetate
Geranyl acetate, analytical standard
Tox21_202089
Tox21_300355
WLN: 1Y & U3YU2OV1-T
BDBM50037025
LMFA07010189
s5091
2, 3,7-dimethyl-, acetate,(E)-
2, 3,7-dimethyl-, acetate, trans-
AKOS015837938
2, 3,7-dimethyl-, acetate, (E)-
CCG-266559
CS-W015698
NCGC00091394-01
NCGC00091394-02
NCGC00091394-03
NCGC00091394-04
NCGC00254482-01
NCGC00259638-01
1ST40220
33843-18-4
LS-14126
SMR000127400
(Z)-3,7-Dimethyl-2,6-octadienyl acetate
3,7-dimethyl-2-trans,6-octadienyl acetate
(2E)-3,7-Dimethyl-2,6-octadienyl acetate
3,7-Dimethyl-2,6-octadien-1-ylacetic acid
G0028
NS00003036
3,7-Dimethyl-acetate(E)-2,6-Octadien-1-ol
(2E)-3,7-Dimethyl-2,6-octadienyl acetate #
(E)-3,7-dimethyl-2,6-octadien-1-ol acetate
3,7-Dimethyl-acetate(2E)-2,6-Octadien-1-ol
3,7-Dimethyl-acetate(2Z)-2,6-Octadien-1-ol
3,7-Dimethyl-acetatetrans-2,6-Octadien-1-ol
C09861
cis-3,7-dimethyl-2,6-octadien-1-yl ethanoate
D70281
3,7-Dimethyl-1-acetate(2E)-2,6-Octadien-1-ol
3,7-Dimethyl-1-acetate(2Z)-2,6-Octadien-1-ol
Q426437
3,7-DIMETHYL-2-TRANS-6-OCTADIENYL ACETATE
J-007463
W-108778
2,6-Octadien-1-ol,3,7-dimethyl-,1-acetate,(2E)-
2,6-OCTADIEN-1-OL,3,7-DIMETHYL-,ACETATE,(E)-
acetic acid trans-3,7-dimethyl-oct-2,6-dien-1-yl ester
Geranyl acetate, primary pharmaceutical reference standard
Geranyl acetate, food grade (71% geranyl acetate, 29% citronellyl acetate)
Microorganism:

Yes

IUPAC name[(2E)-3,7-dimethylocta-2,6-dienyl] acetate
SMILESCC(=CCCC(=CCOC(=O)C)C)C
InchiInChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
FormulaC12H20O2
PubChem ID1549026
Molweight196.29
LogP3.5
Atoms14
Bonds6
H-bond Acceptor2
H-bond Donor0
Chemical Classificationterpenes esters
CHEBI-ID5331
Supernatural-IDSN0126398-01

mVOC Specific Details

Boiling Point
DegreeReference
NA °C peer reviewed
Volatilization
The Henry's Law constant for geranyl acetate is estimated as 2.4X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that geranyl acetate is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 7.4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 6.5 days days(SRC). Geranyl acetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The volatilization half-life from a model pond is about 30 days when adsorption is considered(3). Geranyl acetate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.3X10-2 mm Hg(4).
Soil Adsorption
The Koc of geranyl acetate is estimated as 3,700(SRC), using a log Kow of 4.04(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that geranyl acetate is expected to have slight mobility in soil.
Massbank-Links

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHanseniaspora UvarumYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaSaccharomycopsis Vinisynthetic grape juiceHS-SPMEno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
EukaryotaSaccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno


Compound Details

Synonymous names
STYRENE
Ethenylbenzene
100-42-5
Vinylbenzene
Phenylethylene
Styrol
Benzene, ethenyl-
Cinnamene
Phenylethene
Styrolene
Phenethylene
Styrene monomer
9003-53-6
Vinylbenzol
Vinyl benzene
Styropol SO
Styren
Styrole
Benzene, vinyl-
Ethylene, phenyl-
Vinylbenzen
Stirolo
Styreen
Cinnamenol
Cinnamol
Vinyl-benzene
Bulstren K-525-19
Annamene
NCI-C02200
FEMA No. 3233
FEMA Number 3234
Styrol [German]
CCRIS 564
NSC 62785
Cinnaminol
HSDB 171
EINECS 202-851-5
UNII-44LJ2U959V
25086-18-4
DTXSID2021284
CHEBI:27452
AI3-24374
MAOMIN SM
44LJ2U959V
trans-Styrene-(beta)-d
NSC-62785
STYRENE-ALPHA-13C
STYRENE-BETA,BETA-D2
DTXCID501284
Benzene, (1Z)-ethenyl-2-d-
Styrol (German)
EC 202-851-5
TTB 7302
MFCD00084450
Styrene-d5(StabilizedwithHydroquinone)
12770-88-6
Diarex hf 77
NCGC00091056-01
STYRENE-ALPHA,2,3,4,5,6-D6
STYRENE (IARC)
STYRENE [IARC]
Styreen [Dutch]
Styren [Czech]
Styrene, analytical standard
Stirolo [Italian]
Benzene-d5, ethenyl-d3-
Vinylbenzen [Czech]
Vinylbenzen [Dutch]
6911-81-5
Styron
Styrene 100 microg/mL in Methanol
MFCD00008612
styrene, monomer
Monomer, Styrene
MFCD00044231
Styrene (monomer)
CAS-100-42-5
COLESTYRAMINE IMPURITY A (EP IMPURITY)
COLESTYRAMINE IMPURITY A [EP IMPURITY]
Vinylbenzene, inhibited
Phenylethylene, inhibited
UN2055
Styrene monomer, inhibited
ethenyl-benzene
phenyl-ethylene
p-vinyl benzene
Styron (Salt/Mix)
Ethenylbenzene, 9CI
Styropol (Salt/Mix)
Styropor (Salt/Mix)
PhCH=CH2
STYRENE [HSDB]
STYRENE [INCI]
Styrene, >=99%
STYRENE [MI]
Diarex hf 77 (Salt/Mix)
UN 2055 (Salt/Mix)
WLN: 1U1R
BIDD:ER0247
CHEMBL285235
NSC62785
Styrene, ReagentPlus(R), 99.9%
Tox21_113245
Tox21_200808
STL283958
Styrene 2000 microg/mL in Methanol
Styrene 5000 microg/mL in Methanol
AKOS000119972
MCULE-4715354738
Styrene, SAJ first grade, >=99.0%
NCGC00091056-02
NCGC00091056-03
NCGC00091056-04
NCGC00091056-05
NCGC00258362-01
BP-13451
SY061549
Styrene Solution 0.0001 Wt% in Toluene
DB-244813
diameter 0.05 - 0.1um ,2.5% w/v
NS00010820
S0651
EN300-19671
C07083
C19506
Q28917
Styrene (stabilized with 4-tert-Butylcatechol)
A800199
Styrene, 99.5% stab. with 4-tert-Butylcatechol
Styrene contains 4-tert-Butylcatechol as stabilizer
F1908-0130
Z104474664
Styrene monomer, inhibited [UN2055] [Flammable liquid]
InChI=1/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H
Styrene, ReagentPlus(R), contains 4-tert-butylcatechol as stabilizer, >=99%
98444-30-5
Microorganism:

Yes

IUPAC namestyrene
SMILESC=CC1=CC=CC=C1
InchiInChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
FormulaC8H8
PubChem ID7501
Molweight104.15
LogP2.9
Atoms8
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationbenzenoids aromatic compounds
CHEBI-ID27452
Supernatural-IDSN0291411

mVOC Specific Details

Boiling Point
DegreeReference
145.3 °C peer reviewed
Volatilization
The Henry's Law constant for styrene is reported as 2.75X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that styrene is expected to volatilize from water surfaces(2). Under laboratory conditions, 50% of 2 to 10 mg styrene per liter (depth not specified) was lost by volatilization in 1 to 3 hrs in lake water samples and in 6 to 7 hrs in distilled water, respectively(3). In other studies, the level of styrene in water samples fell from 23 to 3.3 and 0.4 mg/L in 2 hrs and 7 days, respectively, and from 46 to 12.5 and 1.5 mg/L in 2 hrs and 10 days, respectively(4). These findings are relevant to surface waters but not to deeper waters(4). The volatilization half-life of styrene in Rhine River water was 14 days(5). Volatilization of styrene from moist soil surfaces would be slower than in water(4). Samples at 1.5 cm deep of a loamy soil, 26% of 2 mg/kg styrene added volatilized in 31 days(3). The transfer to the air was even slower and less extensive from deep soil(4). The potential for volatilization of styrene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 6.4 mm Hg(6).
Literature: (1) Bocek K; Experimetia, Suppl 23: 231-40 (1976) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Fu MH, Alexander M; Environ Sci Technol 26: 1540-4 (1992) (4) Alexander M; Crit Rev Env Sci Technol 27: 383-410 (1997) (5) Zoeteman BCJ et al; Chemosphere 9: 231-49 (1980) (6) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
Soil Adsorption
The log Koc of styrene is reported to be 2.96(1). According to a classification scheme(2), this Koc value suggests that styrene is expected to have low mobility in soil. More than 85% of styrene is sorbed in 78 hrs on samples from a sandy aquifer(3). Styrene is retained by particulates particularly in organic matter-rich soils(3). Of styrene that had been allowed to sorb for 3 days, 61.0 and 66.7% was desorbed in 16 days from soil and aquifer soils, respectively(4).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Fu MH, Alexander M; Environ Sci Technol 26: 1540-4 (1992) (4) Fu MH et al; Environ Toxicol Chem 13: 749-53 (1994)
Vapor Pressure
PressureReference
6.40 mm Hg at 25 deg CChao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida AlbicansNANAFitzgerald et al. 2022
EukaryotaCandida ParapsilosisNANAFitzgerald et al. 2022
EukaryotaAspergillus FumigatusNANAAhmed et al. 2018
EukaryotaSaccharomyces CerevisiaeNACaballero Ortiz et al. 2018
EukaryotaFusarium Acuminatumroots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticumSchenkel et al. 2018
EukaryotaFusarium Oxysporumroots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticumSchenkel et al. 2018
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin et al. 2021
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
ProkaryotaEscherichia ColiLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaErwinia Amylovoraenhances Arabidopsis thaliana shoot and root growthbacterial collection of the LabParmagnani et al. 2023
ProkaryotaBacillus Cereusisolate and deposite at the China General Microbiological Culture Collection Center (CGMCC)Xu et al. 2022
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
EukaryotaTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Borchiin/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Brumalen/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaPaecilomyces Variotiicompost Fischer et al. 1999
EukaryotaPenicillium Brevicompactumcompost Fischer et al. 1999
EukaryotaPenicillium Clavigerumcompost Fischer et al. 1999
EukaryotaPenicillium Expansumcompost Fischer et al. 1999
EukaryotaPenicillium Glabrumcompost Fischer et al. 1999
EukaryotaPenicillium Crustosumcompost Fischer et al. 1999
EukaryotaAntrodia CinnamomeananaLu et al. 2014
EukaryotaPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al. 2012
ProkaryotaPseudomonas Aeruginosacan be used as biomarker for detection of this bacteriaNAYusuf et al. 2015
ProkaryotaPseudomonas Sp.NANAEtminani et al. 2022
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaAureobasidium PullulansNANAMozūraitis et al. 2022
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
EukaryotaPichia KudriavzeviiNANAMozūraitis et al. 2022
EukaryotaPichia FermentansNANAMozūraitis et al. 2022
EukaryotaPichia KluyveriNANAMozūraitis et al. 2022
EukaryotaPichia MembranifaciensNANAMozūraitis et al. 2022
EukaryotaSaccharomyces ParadoxusNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
EukaryotaPichia AnomalaNANAMozūraitis et al. 2022
EukaryotaMetschnikowia PulcherrimaNANAMozūraitis et al. 2022
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaBacillus SubtilisNANALee et al. 2023
EukaryotaKluyveromyces MarxianusJi et al. 2024
ProkaryotaStaphylococcus AureusWang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansYPDSPME/GC-MSno
EukaryotaCandida ParapsilosisYPDSPME/GC-MSno
EukaryotaAspergillus FumigatusAMMTD/GC-MSno
EukaryotaSaccharomyces Cerevisiaemedium malt extract agar ± SucroseHS-SPME, GC-MSno
EukaryotaFusarium AcuminatumMalt extractSPME, GC-MSno
EukaryotaFusarium OxysporumMalt extractSPME, GC-MSno
EukaryotaAspergillus FlavusSNA mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaErwinia AmylovoraSBSE/GC-MSno
ProkaryotaBacillus CereusLB agarHS-SPME/GC-MSyes
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
EukaryotaTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaPaecilomyces Variotiiyest extract sucroseTenax/GC-MSno
EukaryotaPenicillium Brevicompactumyest extract sucroseTenax/GC-MSno
EukaryotaPenicillium Clavigerumyest extract sucroseTenax/GC-MSno
EukaryotaPenicillium Expansumyest extract sucroseTenax/GC-MSno
EukaryotaPenicillium Glabrumyest extract sucroseTenax/GC-MSno
EukaryotaPenicillium Crustosumyest extract sucroseTenax/GC-MSno
EukaryotaAntrodia CinnamomeaPDAGC/MSyes
EukaryotaPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSno
ProkaryotaPseudomonas Aeruginosablood agar base (TSBA)SPME/GC-MS no
ProkaryotaPseudomonas Sp.nutrient agar (NA)GC–MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaAureobasidium PullulansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaCryptococcus WieringaeYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaHanseniaspora UvarumYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KudriavzeviiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia FermentansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KluyveriYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia MembranifaciensYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaSaccharomyces ParadoxusYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaTorulaspora DelbrueckiiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia AnomalaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaMetschnikowia PulcherrimaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
ProkaryotaPeribacillus Sp.MOLPHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.Schaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
ProkaryotaStaphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno