Results for:
Species: Fusarium fujikuroi

1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

Mass-Spectra

Compound Details

Synonymous names
Eucalyptol
cineole
1,8-Cineole
470-82-6
1,8-Cineol
Cajeputol
1,8-Epoxy-p-menthane
Eucalyptole
Eucapur
Zineol
Terpan
p-Cineole
1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane
1,8-Oxido-p-menthane
Eukalyptol
CINEOL
Cucalyptol
Soledum
8000-48-4
p-Menthane, 1,8-epoxy-
Eukalyptol [Czech]
Eucalyptol (natural)
FEMA No. 2465
2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-
Cineole (VAN)
Eucaly
NCI-C56575
NSC-6171
2-Oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-
1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octane
2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane
NSC6171
NSC 6171
RV6J6604TK
DTXSID4020616
CHEBI:27961
2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane
MFCD00167977
DTXCID60616
CNL
4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane
Eucalyptol [USAN]
NCGC00091666-01
NCGC00091666-04
EUCALYPTOL (II)
EUCALYPTOL [II]
CINEOLE (MART.)
CINEOLE [MART.]
EUCALYPTOL (USP-RS)
EUCALYPTOL [USP-RS]
CINEOLE (EP MONOGRAPH)
CINEOLE [EP MONOGRAPH]
(1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
EUCALYPTOL (USP IMPURITY)
EUCALYPTOL [USP IMPURITY]
EUCALYPTOL (USP MONOGRAPH)
EUCALYPTOL [USP MONOGRAPH]
Eucalyptol 1000 ug/mL in Methanol
UNII-RV6J6604TK
CAS-470-82-6
SMR000471853
1,8 Cineole
CCRIS 3727
HSDB 991
Cineole (Eucalyptol)
1,8 Cineol
1,8 Epoxy p menthane
Eucalyptol [USAN:USP]
EINECS 207-431-5
cineoles
Rosatra
Terpane
Cyneol
BIDD:ER0481
AI3-00578
2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane
Eucalyptol,(S)
Germ Free ARIA
Eucalyptol (USP)
1.8-cineole
1_8_cineole
Eucalyptol, 99%
Eucalyptol, Ph Helv
p-Menthane,8-epoxy-
1,8-Oxido-p-methane
EUCALYPTOL [MI]
WLN: T66 A B AOTJ B1 B1 F1
CINEOLE [INCI]
EUCALYPTOL [FCC]
Spectrum2_000221
Spectrum3_000683
Spectrum4_001747
Spectrum5_000704
EUCALYPTOL [FHFI]
EUCALYPTOL [HPUS]
EUCALYPTOL [HSDB]
EUCALYPTOL [INCI]
CINEOLE [WHO-DD]
EUCALYPTOL [VANDF]
bmse000523
EC 207-431-5
SCHEMBL19622
SCHEMBL41020
BSPBio_002405
KBioGR_002194
MLS001050089
MLS001066338
DivK1c_000333
SPECTRUM1500294
SPBio_000261
Eucalyptol, analytical standard
CHEMBL485259
GTPL2464
CHEMBL1231862
CHEMBL1397305
SCHEMBL13554591
SCHEMBL17836873
SCHEMBL23876132
CHEBI:23243
HMS501A15
KBio1_000333
KBio3_001625
NINDS_000333
P-METHANE, 1,8-EPOXY-
HMS2271P04
Pharmakon1600-01500294
HY-N0066
Tox21_111161
Tox21_202090
Tox21_302902
BDBM50459887
CCG-36080
NSC760388
AKOS015903223
AKOS016034339
AKOS037514637
Tox21_111161_1
CCG-266254
CS-8146
DB03852
LMPR0102090019
NSC-760388
Eucalyptol 1000 microg/mL in Methanol
IDI1_000333
Eucalyptol, tested according to Ph.Eur.
NCGC00091666-02
NCGC00091666-03
NCGC00091666-05
NCGC00095774-01
NCGC00178671-01
NCGC00256479-01
NCGC00259639-01
NCGC00389703-01
AC-20234
Eucalyptol, natural, >=99%, FCC, FG
LS-13868
NCI60_005108
1,3-Trimethyl-2-oxabicyclo[2.2.2]octane
2-Oxa-1,3-trimethylbicyclo[2.2.2]octane
DB-070775
2-Oxabicyclo[2.2.2]octane,3,3-trimethyl-
NS00002794
Rosatra Synergyfor treatment of Acne Rosacea
C09844
D04115
AB01563262_01
Q161572
SR-01000763816
SR-01000763816-2
W-106080
1,8-Cineole, primary pharmaceutical reference standard
1,3,3-TRIMETHYL-2-OXABICYCLO(2.2.2.)OCTANE
Cineole, European Pharmacopoeia (EP) Reference Standard
Eucalyptol, certified reference material, TraceCERT(R)
F0001-1260
Eucalyptol, United States Pharmacopeia (USP) Reference Standard
Eucalyptol (cineole), Pharmaceutical Secondary Standard; Certified Reference Material
InChI=1/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H
Microorganism:

Yes

IUPAC name1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
SMILESCC1(C2CCC(O1)(CC2)C)C
InchiInChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
FormulaC10H18O
PubChem ID2758
Molweight154.25
LogP2.5
Atoms11
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationethers terpenes
CHEBI-ID27961
Supernatural-IDSN0407877

mVOC Specific Details

Boiling Point
DegreeReference
176 °C peer reviewed
Volatilization
The Henry's Law constant for 1,8-cineole is estimated as 1.1X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 1.90 mm Hg(1), and water solubility, 3.5X10+3 mg/L(2). This Henry's Law constant indicates that cineole is expected to volatilize 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 13 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 8 days(SRC). 1,8-Cineole's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1,8-cineole from dry soil surfaces may exist(SRC) based upon the vapor pressure(1).
Literature: (1) Riddick JA et al, eds; Techniques of Chemistry. 4th ed. Vol II. Organic Solvents. New York, NY: John Wiley and Sons, (1985) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press p. 730 (2010) (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
The Koc of 1,8-cineole is estimated as 220(SRC), using a log Kow of 2.74(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1,8-cineole is expected to have moderate mobility in soil. In soil infiltration studies using secondary effluent from Fort Polk, LA collected Nov 4-5 1980, 1,8-cineole, present at 0.091 ug/L, was not detected in column fluid effluents on the second inundation cycle(4).
Literature: (1) Griffin S et al; J Chromatogr 864: 221-28 (1999) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 20, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Hutchins SR et al; Environ Toxicol Chem 2: 195-216 (1983)
Vapor Pressure
PressureReference
1.90 mm Hg at 25 deg CRiddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 307
MS-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaHypoxylon AnthochroumNAMacías-Rubalcava et al. 2018
ProkaryotaErwinia Amylovoraenhances Arabidopsis thaliana shoot and root growthbacterial collection of the LabParmagnani et al. 2023
EukaryotaHypoxylon Anthochroumnaendophytic in Bursera lancifoliaUlloa-Benítez et al. 2016
EukaryotaHypoxylon AnthochroumNAShaw et al. 2015
EukaryotaGloeophyllum OdoratumNAKahlos et al. 1994
EukaryotaFistulina HepaticaNAWu et al. 2005
EukaryotaFusarium FujikuroiNABrock et al. 2011
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
EukaryotaAntrodia CinnamomeananaLu et al. 2014
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2022
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes
ProkaryotaErwinia AmylovoraSBSE/GC-MSno
EukaryotaHypoxylon AnthochroumPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSyes
EukaryotaHypoxylon Anthochroumno
EukaryotaGloeophyllum Odoratumno
EukaryotaFistulina Hepaticano
EukaryotaFusarium Fujikuroino
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaAntrodia CinnamomeaPDAGC/MSyes
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
EukaryotaSaccharomyces EubayanusYPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)HS‐SPME‐GC‐MSno
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno


2-[(1S,5R)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol

Compound Details

Synonymous names
alpha-Acorenol
.alpha.-Acorenol
Acorenol
.alpha.-acorenal
CHEBI:218729
XDVDHFJMCJWDPI-YOYPFHDYSA-N
2-[(1S,5R)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol
Microorganism:

No

IUPAC name2-[(1S,5R)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol
SMILESCC1CCC(C12CCC(=CC2)C)C(C)(C)O
InchiInChI=1S/C15H26O/c1-11-7-9-15(10-8-11)12(2)5-6-13(15)14(3,4)16/h7,12-13,16H,5-6,8-10H2,1-4H3/t12-,13?,15-/m0/s1
FormulaC15H26O
PubChem ID11972555
Molweight222.37
LogP3.6
Atoms16
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols terpenes
CHEBI-ID218729
Supernatural-IDSN0427442-04

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFusarium Oxysporum0NALi et al. 2018
EukaryotaFusarium OxysporumNALi et al. 2018
EukaryotaFusarium FujikuroiNABurkhardt et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFusarium OxysporumPDA plateSPME-GC-MSno
EukaryotaFusarium Oxysporumpotato dextrose agarSPME, GC-MSno
EukaryotaFusarium Fujikuroino


Methyl 2,5-dimethylfuran-3-carboxylate

Mass-Spectra

Compound Details

Synonymous names
6148-34-1
Methyl 2,5-dimethyl-3-furoate
Methyl 2,5-dimethylfuran-3-carboxylate
Methyl 2,5-dimethyl-3-furancarboxylate
MFCD00010303
EINECS 228-155-1
3-Furoic acid, 2,5-dimethyl-, methyl ester
MLS004257376
3-Furancarboxylic acid, 2,5-dimethyl-, methyl ester
SCHEMBL3179093
DTXSID20210442
methyl 2,5-dimethyl-3-furanoate
3-carbomethoxy-2,5-dimethylfuran
STL301441
AKOS000120253
Methyl2,5-dimethylfuran-3-carboxylate
MCULE-1364095605
SB61266
BS-29116
SMR003082508
SY303283
Methyl 2,5-dimethylfuran-3-carboxylic acid
NS00034700
EN300-15471
E75983
Methyl 2,5-dimethyl-3-furancarboxylate, 95%
2,5-dimethylfuran-3-carboxylic acid methyl ester
A899823
3-Furancarboxylic acid,2,5-dimethyl-, methyl ester
Z19023124
F0001-1622
Microorganism:

No

IUPAC namemethyl 2,5-dimethylfuran-3-carboxylate
SMILESCC1=CC(=C(O1)C)C(=O)OC
InchiInChI=1S/C8H10O3/c1-5-4-7(6(2)11-5)8(9)10-3/h4H,1-3H3
FormulaC8H10O3
PubChem ID80248
Molweight154.16
LogP1.6
Atoms11
Bonds2
H-bond Acceptor3
H-bond Donor0
Chemical Classificationesters heterocyclic compounds furan derivatives aromatic compounds ethers

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFusarium FujikuroiNABrock et al. 2011
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFusarium Fujikuroino


Acetate

Compound Details

Synonymous names
acetate
Acetate Ion
Acetic acid, ion(1-)
71-50-1
Acetate ions
ethanoate
Acetate anion
Acetoxy ion
Acetate ion (1-)
Azetat
Acetic acid anion
MeCO2 anion
UNII-569DQM74SC
569DQM74SC
CH3-COO(-)
DTXSID1037694
CHEBI:30089
Ethanoat
Shotgun
Acetate Standard: CH3CO2- @ 1000 microg/mL in H2O
monoacetate
CHEMBL1354
(C2 H3 O)2-
racemic acetate
acetyl hydroxide
Acetic cid glacial
ACETATE [VANDF]
63 - Acetate & Iodide
100 - Acetate and Iodide
Acetate Standard: CH3CO2- @ 10000 microg/mL in H2O
DTXCID9017694
BDBM50159793
CMC_13391
STL282721
AKOS022101130
DB14511
Acetate - CH3CO2(-) @1000microg/mL
NS00114706
Q9154808
Microorganism:

No

IUPAC nameacetate
SMILESCC(=O)[O-]
InchiInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
FormulaC2H3O2-
PubChem ID175
Molweight59.04
LogP0.4
Atoms4
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationacids esters
CHEBI-ID30089

mVOC Specific Details

Boiling Point
DegreeReference
117.9 °CPhysProp
117.9 deg CHaynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 94th Edition. CRC Press LLC, Boca Raton: FL 2013-2014, p. 3-4
Volatilization
The Henry's Law constant for acetic acid has been experimentally determined to be 1.43X10-7 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that acetic acid is expected to be essentially nonvolatile from water surfaces(2). Acetic acid's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to be an important fate process(SRC). Acetic acid is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 15.7 mm Hg at 25 deg C(3).
Literature: (1) Johnson BJ et al; J Atmos Chem 24: 113-119 (1996) (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. Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp (1989)
Soil Adsorption
A log Koc of 0.00 (Koc = 1), which was derived from experimental measurements, has been reported for acetic acid(1,2). According to a classification scheme(3), this Koc value suggests that acetic acid is expected to have very high mobility in soil. No detectable sorption was measured for acetic acid using the OECD Guideline 106 method employing an acidic forest soil, pH 2.8, an agricultural soil, pH 6.7, and a lake sediment, pH 7.1(4). Adsorption of acetic acid to 3 nearshore marine sediments collected from three different locations resulted in Kd values of 0.65 (Koc = 228), 0.085 (Koc = 6.5) and 0.046 (Koc = 27) using clastic mud (3.5% organic carbon, pH 7.0), muddy sand (1.3% organic carbon, pH 7.7), and carbonate sand (0.17% organic carbon, pH 8.1), respectively(5). The pKa of acetic acid is 4.76(6), indicating that this compound will exist partially in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(7).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (Supplemental material) (2006) (2) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (5) Sansone JF et al; Geochimica et Cosmochimica Acta 51: 1889-1896 (1987) (6) Serjeant EP, Dempsey B; Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chemical Data Series No. 23. New York, NY: Pergamon Press, p. 989 (1979) (7) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Literature: #In 24 hr aqueous adsorption studies using montmorillonite and kaolinite clay adsorbents, 2.4-30.4% of added acetic acid was observed to be in the adsorbed phase(1). In adsorption studies using the adsorbent hydroxyapatite (a mineral which occurs in the environment as a result of the diagenesis of skeletal apatite), only 5% of added acetic acid (in aqueous solution, pH 8.0) became adsorbed to the hydroxyapatite(2). Acetic acid has been noted to leach from biological disposal areas(3).
Literature: (1) Hemphill L, Swanson WS; Proc of the 18th Industrial Waste Conf, Eng Bull Purdue Univ, Lafayette IN 18: 204-17 (1964) (2) Gordon AS, Millero FJ; Microb Ecol 11: 289-98 (1985) (3) Abrams EF et al; Identification of Organic Compounds in Effluents from Industrial Sources. USEPA-560/3-75-002 p. 3 (1975)
Vapor Pressure
PressureReference
15.7 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.

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFusarium FujikuroiNAStudt et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFusarium Fujikuroino


(1S,2R,5S,6S,9S)-2,6,10,10-tetramethyltricyclo[7.2.0.02,5]undecan-6-ol

Compound Details

Synonymous names
Koraiol
Korayol
CHEBI:167323
72188-51-3
(1S,2R,5S,6S,9S)-2,6,10,10-tetramethyltricyclo[7.2.0.0(2,5)]undecan-6-ol
Microorganism:

No

IUPAC name(1S,2R,5S,6S,9S)-2,6,10,10-tetramethyltricyclo[7.2.0.02,5]undecan-6-ol
SMILESCC1(CC2C1CCC(C3C2(CC3)C)(C)O)C
InchiInChI=1S/C15H26O/c1-13(2)9-11-10(13)5-8-15(4,16)12-6-7-14(11,12)3/h10-12,16H,5-9H2,1-4H3/t10-,11-,12-,14+,15-/m0/s1
FormulaC15H26O
PubChem ID135024049
Molweight222.37
LogP3.9
Atoms16
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationterpenes alcohols
CHEBI-ID167323
Supernatural-IDSN0052099-01

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFusarium FujikuroiNABurkhardt et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFusarium Fujikuroino


3-methyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
1679-47-6
3-methyldihydrofuran-2(3H)-one
alpha-Methyl-gamma-butyrolactone
3-methyloxolan-2-one
Dihydro-3-methyl-2(3H)-furanone
2-Methylbutanolide
2(3H)-Furanone, dihydro-3-methyl-
2-Methyl-4-butanolide
alpha-Methylbutyrolactone
.alpha.-Methylbutyrolactone
.alpha.-Methyl-.gamma.-butyrolactone
4-Hydroxy-2-methylbutyric acid lactone
2-methylbutyrolactone
4-Hydroxy-2-methylbutanoic acid lactone
2-Methyl-.gamma.-butyrolactone
3-methyldihydrofuran-2-one
4,5-Dihydro-3-methyl-2(3H)-furanone
3-Methyldihydro-2(3H)-furanone
140H0G0P5W
MFCD00005396
NSC-102837
2(3H)-Furanone, dihydromethyl-
3-methyltetrahydrofuran-2-one
Gama-Valerolactone
methyl-butyrolactone
EINECS 216-846-0
NSC102837
a-Methyl-g-butyrolactone
a-Methyl-?-butyrolactone
alpha -methylbutyrolactone
|A-Methyl-|A-butyrolactone
2-Methyl-gamma-butyrolactone
2-methyl-gamma-butyro-lactone
CHEMBL36365
SCHEMBL105334
UNII-140H0G0P5W
3-METHYL-2-OXOOXOLANE
3-Methyl-dihydro-furan-2-one
CHEBI:173343
DTXSID401030919
alpha -Methyl- gamma -butyrolactone
(+/-)-2-METHYLBUTYROLACTONE
AKOS015900293
alpha-Methyl-gamma-butyrolactone, 98%
NSC 102837
alpha -methyl-alpha -methylbutyrolactone
2-Methyl-laquo gammaRaquo -butyrolactone
SY051660
DB-043724
alpha -methyl-laquo gammaRaquo -butyrolactone
AM20090007
CS-0152675
M1100
NS00046105
EN300-94873
D70164
(+/-)-DIHYDRO-3-METHYL-2(3H)-FURANONE
A882205
J-010416
(+/-)-.ALPHA.-METHYL-.GAMMA.-BUTYROLACTONE
alpha-Methyl-gamma-butyrolactone, purum, >=97.0% (GC)
BUTYRIC ACID, 4-HYDROXY-2-METHYL-, .GAMMA.-LACTONE
BUTYRIC ACID, .GAMMA.-HYDROXY-.ALPHA.-METHYL-, .GAMMA.-LACTONE
Microorganism:

No

IUPAC name3-methyloxolan-2-one
SMILESCC1CCOC1=O
InchiInChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3
FormulaC5H8O2
PubChem ID98323
Molweight100.12
LogP0.8
Atoms7
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters g-lactone lactones
CHEBI-ID173343
Supernatural-IDSN0304728

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFusarium FujikuroiNABrock et al. 2011
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFusarium Fujikuroino


(E)-hex-2-en-1-ol

Mass-Spectra

Compound Details

Synonymous names
trans-2-Hexen-1-Ol
928-95-0
(E)-Hex-2-en-1-ol
2-HEXEN-1-OL
(E)-2-Hexen-1-ol
trans-2-Hexenol
2-Hexen-1-ol, (2E)-
2-Hexenol
Hex-2-en-1-ol
2305-21-7
3-Propylallyl alcohol
2-Hexen-1-ol, (E)-
trans-Hex-2-en-1-ol
2-Hexen-1-ol, trans-
(E)-2-HEXENOL
2E-hexenol
FEMA No. 2562
2-(E)-hexenol
MFCD00002927
DTXSID2047062
BVP79C4821
fema 2562
2-Hexen-1-ol (natural)
trans-2-Hexenol (natural)
2-hexenyl alcohol
EINECS 213-191-2
EINECS 218-972-1
trans-1-Hydroxy-2-hexene
NSC 142553
BRN 1719709
trans-2-Hexen-1-yl Alcohol
UNII-BVP79C4821
AI3-34792
UNII-4786A28X17
Hex-2(E)-enol
(E)-hex-2-enol
t-2-Hexen-1-ol
trans-2-hexene-1-ol
E-Hex-2-en-1-ol
(E)-2-Hexene-1-ol
(2E)-2-Hexen-1-ol
SCHEMBL75388
(2E)-hex-2-en-1-ol
4-01-00-02138 (Beilstein Handbook Reference)
METHYLPERFLUOROHEXANOATE
trans-2-Hexen-1-ol, 96%
(2E)-2-Hexen-1-ol #
CHEMBL2228463
DTXCID0027062
CHEBI:141205
CHEBI:144070
FEMA NO. 2562, E-
Tox21_301839
LMFA05000060
NSC142553
(E)-2-HEXEN-1-OL [FCC]
AKOS015856232
CS-W016652
HY-W015936
NSC-142553
NCGC00256273-01
AS-10647
CAS-928-95-0
trans-2-Hexen-1-ol, natural, 97%, FG
DB-266986
4786A28X17
H0346
NS00012567
trans-2-Hexen-1-ol, >=95%, FCC, FG
D78301
EN300-219729
EN300-1692298
A844381
Q1622275
Microorganism:

Yes

IUPAC name(E)-hex-2-en-1-ol
SMILESCCCC=CCO
InchiInChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+
FormulaC6H12O
PubChem ID5318042
Molweight100.16
LogP1.4
Atoms7
Bonds3
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID144070
Supernatural-IDSN0466561-02

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANALu et al. 2022
ProkaryotaPseudomonas AeruginosaNANADavis et al. 2020
ProkaryotaEscherichia ColiSwedish Institute for Communicable Disease Control (SMI), Stockholm, SwedenSousa et al. 2023
ProkaryotaCoraliitalea Coraliiisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
EukaryotaFusarium FujikuroiNABrock et al. 2011
ProkaryotaSerratia Proteamaculansn/aNAErcolini et al. 2009
EukaryotaPenicillium Chrysogenumn/aNAMeruva et al. 2004
EukaryotaPenicillium ChrysogenumNAMeruva et al. 2004
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaTH mediumGC-IMSno
ProkaryotaPseudomonas AeruginosaLB brothSPME/GCxGC-MSno
ProkaryotaEscherichia Colirocket lysateHS-SPME/GC-MSno
ProkaryotaCoraliitalea Coraliimarine broth agarOSSA/GC-MSno
EukaryotaFusarium Fujikuroino
ProkaryotaSerratia Proteamaculansn/an/ano
EukaryotaPenicillium ChrysogenumPotato dextrose agaClosedloop stripping analysis and GC/TOF-MS.no
EukaryotaPenicillium ChrysogenumPotato dextrose agaClosedloop stripping analysis and GC/TOF-MS.yes
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno


Compound Details

Synonymous names
HEXANAL
Caproaldehyde
66-25-1
Hexaldehyde
Caproic aldehyde
1-Hexanal
Capronaldehyde
n-Hexanal
Hexanaldehyde
n-Caproaldehyde
Hexylaldehyde
Aldehyde C-6
n-Capronaldehyde
n-Caproylaldehyde
Hexoic aldehyde
Hexyl aldehyde
n-Hexaldehyde
C6 aldehyde
n-Caproic aldehyde
Kapronaldehyd
n-Hexylaldehyde
Hexanal (natural)
FEMA No. 2557
FEMA Number 2557
hexan-1-al
NSC 2596
CCRIS 3219
HSDB 560
n-C5H11CHO
UNII-9DC2K31JJQ
Aldehyde C6
EINECS 200-624-5
9DC2K31JJQ
BRN 0506198
DTXSID2021604
CHEBI:88528
AI3-15364
NSC-2596
CHEMBL280331
DTXCID901604
EC 200-624-5
4-01-00-03296 (Beilstein Handbook Reference)
MFCD00007027
Kapronaldehyd [Czech]
CAS-66-25-1
UN1207
capronaidehyde
1-hexanone
Aldehydes, C6
Hexanal, 98%
CAPRONIC ALDEHYDE
HEXANAL [FHFI]
HEXANAL [INCI]
HEXANAL [FCC]
Caproaldehyde; Hexaldehyde
HEXALDEHYDE [HSDB]
WLN: VH5
Hexanal, analytical standard
SCHEMBL22263
CAPROIC ALDEHYDE [MI]
NSC2596
Hexanal, natural, >=90%, FG
Hexanal, natural, >=95%, FG
Hexanal, >=97%, FCC, FG
Tox21_201933
Tox21_303342
BDBM50028824
LMFA06000109
STL280331
AKOS009156478
FS-3948
Hexanal 100 microg/mL in Acetonitrile
UN 1207
NCGC00249137-01
NCGC00257270-01
NCGC00259482-01
BP-31180
DB-054893
H0133
Hexaldehyde [UN1207] [Flammable liquid]
NS00009211
EN300-33498
A835388
Q420698
J-660017
Z234894453
861259-78-1
O8Y
Microorganism:

Yes

IUPAC namehexanal
SMILESCCCCCC=O
InchiInChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
FormulaC6H12O
PubChem ID6184
Molweight100.16
LogP1.8
Atoms7
Bonds4
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaldehydes
CHEBI-ID88528
Supernatural-IDSN0160374

mVOC Specific Details

Boiling Point
DegreeReference
129.6 °C peer reviewed
Volatilization
The Henry's Law constant for hexaldehyde is 2.13X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that hexaldehyde 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 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 5 days(SRC). Hexaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Hexaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 11.3 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-9 (1969) (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)
Soil Adsorption
The Koc of hexaldehyde is estimated as 50(SRC), using a log Kow of 1.78(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that hexaldehyde is expected to have high mobility in soil.
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. 24 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 18, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
11.3 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., p. 439
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaStreptococcus PneumoniaeNANAAllardyce et al. 2006
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
EukaryotaPenicillium ChrysogenumNANACosta et al. 2016
ProkaryotaPseudomonas AeruginosaNANADavis et al. 2020
ProkaryotaPseudomonas AeruginosaNANANeerincx et al. 2016
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
EukaryotaFusarium OxysporumonionWang et al. 2018
EukaryotaFusarium ProliferatumonionWang et al. 2018
ProkaryotaStaphylococcus EpidermidisDSMZ - Deutsche Sammlung von Mikroorganismen und ZellkulturenVerhulst et al. 2009
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
EukaryotaTuber Magnatumcollected from natural truffle orchards in Istria (Croatia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Baranya (Hungary) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Somogy (Hungary) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Abruzzo (Italy) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Kalubara (Serbia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Srem (Serbia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTrichoderma VirideNAHung et al. 2013
EukaryotaFusarium FujikuroiNAStudt et al. 2016
ProkaryotaSerratia Proteamaculansn/aNAErcolini et al. 2009
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
EukaryotaTuber Melanosporumn/aNASplivallo et al. 2007
EukaryotaTuber Indicumn/aNASplivallo et al. 2007
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
EukaryotaTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaMuscodor Albusn/aNACorcuff et al. 2011
EukaryotaAspergillus Flavusn/aNABeck et al. 2012
EukaryotaAspergillus Parasiticusn/aNABeck et al. 2012
EukaryotaAspergillus Nigern/aNABeck et al. 2012
EukaryotaPenicillium Glabrumn/aNABeck et al. 2012
EukaryotaRhizopus Stolonifern/aNABeck et al. 2012
EukaryotaTrichoderma Viriden/aNAWheatley et al. 1997
EukaryotaFusarium FujikuroiNABrock et al. 2011
EukaryotaFusarium CulmorumNASavel’eva et al. 2014
EukaryotaFusarium SolaniNATakeuchi et al. 2012
ProkaryotaLactobacillus RhamnosusnaDomiati cheesePogačić et al. 2016
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
EukaryotaTuber BorchiiAroma active compound in Tuber himalayense, Tuber indicum and Tuber sinensenaSplivallo and Ebeler 2015
EukaryotaTuber MelanosporumNoneFortywoodland of the Basilicata regionMauriello et al. 2004
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
Lentinula EdodesGeng et al. 2024
Bacillus ThuringiensisKoilybayeva et al. 2023
Kluyveromyces MarxianusJi et al. 2024
Saccharomyces CerevisiaePeng et al. 2023
Staphylococcus AureusWang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaEscherichia ColiBacT/ALERT FASIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaStaphylococcus AureusBacT/ALERT FASIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStreptococcus PneumoniaeBacT/ALERT FASIFT-MSno
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaPseudomonas AeruginosaLB brothSPME/GCxGC-MSno
ProkaryotaPseudomonas AeruginosaBrain Heart InfusionTD/GC-MSno
EukaryotaFusarium AcuminatumMalt extractSPME, GC-MSno
EukaryotaFusarium OxysporumMalt extractSPME, GC-MSno
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
ProkaryotaStaphylococcus Epidermidisblood agarGC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaTuber MagnatumGC-MS-Ono
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSyes
EukaryotaFusarium Fujikuroino
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaCarnobacterium Divergensn/an/ano
ProkaryotaPseudomonas Fragin/an/ano
EukaryotaTuber Melanosporumn/an/ano
EukaryotaTuber Indicumn/an/ano
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
EukaryotaMuscodor Albusn/aHeadspace sampler/GC-MSno
EukaryotaAspergillus Flavuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Parasiticuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Nigerpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaPenicillium Glabrumpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaRhizopus Stoloniferpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaTrichoderma VirideMalt extractGC/MSno
EukaryotaFusarium Culmorumno
EukaryotaFusarium Solanino
ProkaryotaLactobacillus Rhamnosuscurd-based broth mediumGC/MSyes
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
EukaryotaTuber BorchiinaSPME-GC/MS/O); GC-Ryes
EukaryotaTuber MelanosporumNonemicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
Lentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
Bacillus Thuringiensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
Kluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
Saccharomyces Cerevisiaesea buckthorn juiceHS-SPME-GC–MS/UHPLC–MSno
Staphylococcus Aureusraw Shiyang chickenHS-GC-IMS/HS-SPME-GC-MSno


Hexyl Formate

Mass-Spectra

Compound Details

Synonymous names
Hexyl formate
n-Hexyl formate
629-33-4
FORMIC ACID, HEXYL ESTER
n-Hexyl methanoate
Hexyl methanoate
Formic Acid Hexyl Ester
FEMA No. 2570
Hexyl formiate
9GPU7PGV1G
NSC-4780
NSC 4780
EINECS 211-087-1
UNII-9GPU7PGV1G
BRN 1701629
dioxanone n
hexyl ormate
SCHEMBL59493
HEXYL FORMATE [FHFI]
Hexyl formate, >=97%, FG
CHEMBL2270391
DTXSID8060870
FEMA 2570
NSC4780
CHEBI:179998
MFCD00046146
AKOS015902384
MCULE-1329787181
LS-13342
DB-003683
H1271
NS00012608
Q3077504
Microorganism:

Yes

IUPAC namehexyl formate
SMILESCCCCCCOC=O
InchiInChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3
FormulaC7H14O2
PubChem ID61177
Molweight130.18
LogP2.5
Atoms9
Bonds6
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID179998
Supernatural-IDSN0275416

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus Flavuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Parasiticuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Nigerpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaPenicillium Glabrumpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaRhizopus Stoloniferpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaFusarium Fujikuroino
ProkaryotaCarnobacterium Divergensn/an/ano
Cyberlindnera Fabianiituna cooking liquidHS-SPME-GC/MSno
Lactobacillus Plantarumtuna cooking liquidHS-SPME-GC/MSno


Octan-4-one

Mass-Spectra

Compound Details

Synonymous names
4-OCTANONE
Octan-4-one
589-63-9
Butyl propyl ketone
Propyl n-butyl ketone
propyl butyl ketone
EINECS 209-655-9
n-C4H9COCH2CH2CH3
SCHEMBL109288
DTXSID40207637
NSC43245
MFCD00027241
NSC 43245
NSC-43245
AKOS009159007
MCULE-5459540473
DB-053297
NS00034050
O0218
EN300-99464
T72667
Q20054538
Microorganism:

Yes

IUPAC nameoctan-4-one
SMILESCCCCC(=O)CCC
InchiInChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3-7H2,1-2H3
FormulaC8H16O
PubChem ID11516
Molweight128.21
LogP2.1
Atoms9
Bonds5
H-bond Acceptor1
H-bond Donor0
Chemical Classificationketones
Supernatural-IDSN0462503

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia AmbifariaNAGroenhagen et al. 2013
EukaryotaFusarium FujikuroiNABrock et al. 2011
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia AmbifariaLuria-Bertani medium, Malt Extractyes
EukaryotaFusarium Fujikuroino


(3S,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene

Compound Details

Synonymous names
(+)-eremophilene
(3S,4aS,5R)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
(3S,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1S-(1.alpha.,7.alpha.,8a.alpha.)]-
3-Isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene #
CHEBI:137562
QEBNYNLSCGVZOH-IPYPFGDCSA-N
C21684
Microorganism:

No

IUPAC name(3S,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
SMILESCC1CCC=C2C1(CC(CC2)C(=C)C)C
InchiInChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13+,15+/m1/s1
FormulaC15H24
PubChem ID6431897
Molweight204.35
LogP5.2
Atoms15
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes
CHEBI-ID137562
Supernatural-IDSN0302870-04

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFusarium FujikuroiNABurkhardt et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFusarium Fujikuroino


(1R,3aR,8aS)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydro-1H-azulene

Compound Details

Synonymous names
(1R,4R,5S)-(-)-guaia-6,10(14)-diene
Guaia-6,10(14)-diene
CHEBI:137563
(-)-guaia-6,10(14)-diene
C21685
(1R)-1-Methyl-4-methylidene-7-(propan-2-yl)-1,2,3,3a,4,5,6,8a-octahydroazulene
(1R)-7-Isopropyl-1-methyl-4-methylene-1,2,3,3a,4,5,6,8a-octahydroazulene
(1R,3aR,8aS)-1-methyl-4-methylidene-7-(propan-2-yl)-1,2,3,3a,4,5,6,8a-octahydroazulene
Microorganism:

No

IUPAC name(1R,3aR,8aS)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydro-1H-azulene
SMILESCC1CCC2C1C=C(CCC2=C)C(C)C
InchiInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9-10,12,14-15H,3,5-8H2,1-2,4H3/t12-,14+,15-/m1/s1
FormulaC15H24
PubChem ID129320485
Molweight204.35
LogP4.3
Atoms15
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes
CHEBI-ID137563
Supernatural-IDSN0301419-04

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFusarium FujikuroiNABurkhardt et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFusarium Fujikuroino