Results for:
chemical Classification: alkene

7-methyl-3-methylideneocta-1,6-diene

Mass-Spectra

Compound Details

Synonymous names
UAHWPYUMFXYFJY-UHFFFAOYSA-N
beta-geraniolene
MYRCENE
Myrcene, primary pharmaceutical reference standard
beta-Myrcene
b-Myrcene
Myrcene, analytical standard
AC1Q1NVC
Myrcene, technical grade
MYRCENE, TECH
AC1Q1J8N
AC1L1L8S
.beta.-Geraniolene
MYRCENE 90
Myrcene (natural)
.beta.-Myrcene
3M39CZS25B
M0235
Myrcene (stabilized with BHT)
V0542
RP20298
LS-678
CHEMBL455491
C06074
CCRIS 3725
UNII-3M39CZS25B
HSDB 1258
STL477735
Jsp001569
DTXSID6025692
LP070397
OR028249
NSC406264
AK116901
ZINC1530331
A805060
CHEBI:17221
DSSTox_CID_5692
CC-31053
AJ-26651
FCH1116940
AN-22914
DSSTox_GSID_25692
CJ-23958
DSSTox_RID_77883
MFCD00008908
C-34801
TR-003681
NSC-406264
NSC 406264
ST24029965
Myrcene, .beta.-
WLN: 1Y1&U3YU1&1U1
AI3-00738
Q-201417
AKOS015904015
BRN 1719990
FEMA No. 2762
FT-0629050
LMPR0102010005
I14-17984
7-?Methyl-?3-?methylene-?1,6-?octadiene
7-methyl-3-methylideneocta-1,6-diene
Tox21_300351
2-Methyl-6-methylene-2,7-octadiene
3-Methylene-7-methyl-1,6-octadiene
7-Methyl-3-methylene-1,6-octadiene
123-35-3
7-Methyl-3-methyleneocta-1,6-diene
NCGC00091420-01
NCGC00091420-02
NCGC00254252-01
2153-31-3
EINECS 204-622-5
1, 7-methyl-3-methylene-
CAS-123-35-3
7-methyl-3-methylidene-octa-1,6-diene
7-Methyl-3-methylene-octa-1,6-diene
Myrcene, >=95%, stabilized, FCC, FG
7-Methyl-3-methyleneoctadiene-(1,6)
MolPort-001-792-515
1,6-OCTADIENE; 7-METHYL-3-METHYLENE-
1,6-Octadiene, 7-methyl-3-methylene-
4-01-00-01108 (Beilstein Handbook Reference)
InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H
IUPAC name7-methyl-3-methylideneocta-1,6-diene
SMILESCC(=CCCC(=C)C=C)C
InchiInChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
FormulaC10H16
PubChem ID31253
Molweight136.238
LogP3.54
Atoms26
Bonds25
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes Alkene

mVOC Specific Details

Volatilization
The Henry's Law constant for myrcene is estimated as 0.0916 atm-cu m/mole(SRC) derived from its vapor pressure, 2.09 mm Hg(1), and water solubility, 4.09 mg/L(2). This Henry's Law constant indicates that myrcene 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 3.4 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)(3) is estimated as 4.6 days(SRC). Myrcene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of myrcene from dry soil surfaces may exist based upon a vapor pressure of 2.09 mm Hg(1).
Literature: (1) Haynes, W.M. (ed.); CRC Handbook of Chemistry and Physics. 91th ed. Boca Raton, FL: CRC Press Inc., p. 6-112 (2010-2011) (2) Yalkowsky SH et al eds; Handbook of aqueous solubility data. Second edition. Boca Raton, FL: CRC Press p. 714 (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
Using a structure estimation method based on molecular connectivity indices(1), the Koc of myrcene can be estimated to be 1074(SRC). According to a classification scheme(2), this estimated Koc value suggests that myrcene 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 Oct 19, 2011: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
2.09 mm Hg at 25 deg CHaynes, W.M. (ed.) CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press Inc., 2010-2011, p. 6-112
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaStreptomyces Citreusn/aSchulz and Dickschat, 2007
FungiTrichoderma Atroviriden/aCrutcher et al., 2013
FungiTrichoderma Reesein/aCrutcher et al., 2013
FungiTrichoderma Virensn/aCrutcher et al., 2013
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiAspergillus Vesicolorcompost Fischer et al. 2042
FungiCystoderma CarchariasFranceBreheret et al. 1997
FungiMycena RoseaFranceBreheret et al. 1997
FungiPaecilomyces Variotiicompost Fischer et al. 2042
FungiPenicillium Clavigerumcompost Fischer et al. 2042
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Pratensis Ter91Headspace trapping/GC-MS
BacteriaStreptomyces Citreusn/an/a
FungiTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS
FungiAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
FungiAspergillus Vesicoloryest extract sucroseTenax/GC-MSno
FungiCystoderma Carchariasforest soilsolvent extraction, headspace, GCMSno
FungiMycena Roseaforest soilsolvent extraction, headspace, GCMSno
FungiPaecilomyces Variotiiyest extract sucroseTenax/GC-MSno
FungiPenicillium Clavigerumyest extract sucroseTenax/GC-MSno


1-methyl-4-propan-2-ylcyclohexa-1,4-diene

Mass-Spectra

Compound Details

Synonymous names
Crithmene
YKFLAYDHMOASIY-UHFFFAOYSA-N
Gamma terpinene
GAMMA-TERPINENE
Alpha terpinene
Moslene
gamma-Terpinen
gamma-Terpinene, primary pharmaceutical reference standard
gamma-Terpinene, analytical standard
AC1L1OTA
TERPINENE, ALPHA
4YGF4PQP49
.gamma.-Terpinene
gamma-Terpinene (natural)
.gamma.-Terpinen
UNII-4YGF4PQP49
HMDB05806
M0318
CTK3J2499
CHEMBL449693
gamma-Terpinene, 97%
NSC21448
ZINC967594
C09900
bmse000778
1,4-p-Menthadiene
OR382951
OR038361
LS-3105
DTXSID6041210
CHEBI:10577
ANW-41871
Terpinene, .gamma.-
NSC-21448
NSC 21448
DSSTox_GSID_41210
EBD2201631
AN-24526
1-Methyl-4-isopropylcyclohexadiene-1,4
p-Mentha-1,4-diene
MFCD00001537
DSSTox_CID_21210
DSSTox_RID_79650
KB-192916
gamma-Terpinene, >=95%, FG
TR-030490
AI3-26468
RTR-030490
W-100015
AKOS015840812
Ambap99-85-4
FT-0626623
FEMA No. 3559
1-isopropyl-4-methylcyclohexa-1,4-diene
I14-57374
1-Isopropyl-4-methyl-1,4-cyclohexadiene
LMPR0102090027
1-Methyl-4-isopropyl-1,4-cyclohexadiene
99-85-4
4-Isopropyl-1-methyl-1,4-cyclohexadiene
Tox21_300963
3B1-009369
gamma-Terpinene, natural, 95%, FG
1-Isopropyl-4-methyl-1,4-cyclohexadiene #
CAS-99-85-4
NCGC00254865-01
WLN: L6U CUTJ AY1&1 D1
1-isopropyl-4-methyl-cyclohexa-1,4-diene
NCGC00248232-01
EINECS 202-794-6
1, 1-methyl-4-isopropyl-
1,4-Cyclohexadiene, 1-methyl-4-isopropyl-
MolPort-003-928-067
1-methyl-4-propan-2-ylcyclohexa-1,4-diene
gamma-Terpinene, purum, >=97.0% (GC)
1-Methyl-4-(1-methylethyl)-1,4-cyclohexadiene
1,4-Cyclohexadiene,1-Methyl-4-(1-Methylethyl)-
1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene
1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-
InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H
IUPAC name1-methyl-4-propan-2-ylcyclohexa-1,4-diene
SMILESCC1=CCC(=CC1)C(C)C
InchiInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
FormulaC10H16
PubChem ID7461
Molweight136.238
LogP3.16
Atoms26
Bonds26
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkene Terpenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Pratensis TER91narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
FungiTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al., 2012
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiAspergillus Fumigatus Strain FGSC A1163Heddergott et al. 2014
FungiTrichoderma Atroviride ATCC 74058Stoppacher et al., 2010
FungiTuber Magnatumn/aItalian geographical areas ( Marche, Border region area between Emilia Romagna and Marche)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Pratensis TER91sand containing artificial root exudatesGC/MSNo
BacteriaCollimonas Pratensis Ter91Headspace trapping/GC-MS
FungiTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
FungiAspergillus Fumigatus Strain FGSC A1163Brian`s broth, AMM, RPMI 1647SPME / GC-MS
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS no
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


(2E,4E)-deca-2,4-dienal

Mass-Spectra

Compound Details

Synonymous names
decadienal
JZQKTMZYLHNFPL-BLHCBFLLSA-N
2e,4e-decadienal
AC1NR231
R574
U837
2,4-DECADIENAL
EBD6162
D1934
CHEMBL443949
SCHEMBL229020
SCHEMBL229021
2-trans-4-trans-Decadienal
2,4-trans,trans-Decadienal
3G88X2RK09
CCRIS 4029
trans-2-trans-4-DECADIENAL
trans,trans-2,4-Decadienal
trans,trans-2.4-Decadienal
Trans,Trans,2,4-Decadienal
AK113463
DTXSID6024911
LP084630
LS-1068
SBB066368
A816818
A817667
DSSTox_CID_4911
UNII-3G88X2RK09
ZINC2014252
AB1005978
AJ-32566
AN-17651
AN-19915
CJ-31226
DSSTox_GSID_24911
SC-19439
trans,trans-2,4-Decadienal, analytical standard
(2E,4E)-Decadienal
C-30884
DSSTox_RID_77575
LMFA06000057
MFCD00007007
trans-2, trans-4-Decadienal
ZINC02014252
DB-003789
KB-164579
KB-206061
RTR-011510
ST24026149
ST51039872
TR-011510
2,4-Decadienal (natural)
AKOS015897366
I09-0159
I14-6301
J-015839
BRN 1704897
FEMA No. 3135
FT-0604954
FT-0656630
2,4-Decadienal, trans,trans-
I14-13657
Tox21_201894
Tox21_303165
trans,trans-2,4-Decadien-1-al
(E,E)-2,4-Decanedienal
(E,E)-2,4-Decadienal
2363-88-4
NCGC00090687-01
NCGC00090687-02
NCGC00090687-03
NCGC00090687-04
NCGC00257107-01
NCGC00259443-01
EINECS 219-114-9
EINECS 246-668-9
25152-84-5
30551-18-9
2,4-decadien-1-al FCC, No Antioxidant
(2E,4E)-2,4-Decadienal
(2E,4E)deca-2,4-dienal
(2E,4Z)-2,4-Decadienal
(2Z,4Z)-2,4-Decadienal
(E,E)-deca-2,4-dienal
Deca-2(E),4(E)-dienal
trans,trans-2,4-Decadienal, natural, 89%
CAS-25152-84-5
MolPort-003-927-283
trans,trans-2,4-Decadienal, technical grade, 85%
trans,trans-2,4-Decadienal, >=89%, FG
(17beta)-Hydroxyandrosta-1,4-dien-3-one acetate
(2E,4E)-deca-2,4-dienal
(E)-2,(E)-4-decadienal
(E),(E)-2,4-decacienal
2,4-Decadienal, (E,E)-
(E,E)-2,4-decadien-1-al
2,4-Decadienal, (2E,4E)-
2,4-Decadien-1-al, (trans,trans)-
4-01-00-03566 (Beilstein Handbook Reference)
2,4-DECADIENAL (2,4-HEXADIENAL (142-83-6))
IUPAC name(2E,4E)-deca-2,4-dienal
SMILESCCCCCC=CC=CC=O
InchiInChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+
FormulaC10H16O
PubChem ID5283349
Molweight152.237
LogP3.07
Atoms27
Bonds26
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationAldehydes alkene alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiGleophyllum OdoratumnaSachsenwald near HamburgRösecke et al., 2000
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
FungiTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al., 2000
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber 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
FungiTuber 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
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiFomitopsis PinicolanaGC/MSNo
FungiGanoderma LucidumnaGC/MSNo
FungiGleophyllum OdoratumnaGC/MSNo
FungiSpongiporus LeucomallellusnaGC/MSNo
FungiTrametes SuaveolensnaGC/MSNo
FungiTuber Melanosporumn/an/a
FungiTuber Aestivumn/aGas chromatography-olfactometry (GC-O)
FungiTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)


(3E)-3-prop-2-enylidenecyclobutene

Compound Details

Synonymous names
USDJJNZZCBONHN-DAXSKMNVSA-N
AC1NSQYN
Cyclobutene, 2-propenylidene-
3-(2-Propenylidene)cyclobutene
OR083512
(3E)-3-prop-2-enylidenecyclobutene
52097-85-5
(3E)-3-(2-Propenylidene)-1-cyclobutene #
IUPAC name(3E)-3-prop-2-enylidenecyclobutene
SMILESC=CC=C1CC=C1
InchiInChI=1S/C7H8/c1-2-4-7-5-3-6-7/h2-5H,1,6H2/b7-4-
FormulaC7H8
PubChem ID5368360
Molweight92.141
LogP1.88
Atoms15
Bonds15
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes alkene

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
BacteriaPseudomonas Putida BP25nablack pepper rootSheoran et al., 2015
BacteriaPseudomonas Putida BP25Rpositive influence of the plant root growth and protection against soil-borne pathogensSheoran et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTrichodema PseudokoningiiMalt extractGC/MS
BacteriaPseudomonas Putida BP25Luria Bertani AgarHeadspace GC/MSNo
BacteriaPseudomonas Putida BP25RTSBPropak Q adsorbent trap/GC-MS


Compound Details

Synonymous names
Bicarburretted hydrogen
Ethyleneradical
methylenecarbonyl group
POLYETHYLENE
Plastipore
Aethylen
Alkathene
Ambythene
ETHYLENE
Ethylene polymers
SNVLJLYUUXKWOJ-UHFFFAOYSA-N
VGGSQFUCUMXWEO-UHFFFAOYSA-N
Acetene
Aethen
Athylen
Ethene
Etherin
Ethylen
Ethylene polymer
Etileno
Liquid ethylene
methylene carbon
Polyethylene as
Bakelite DYNH
Elayl
Grex
Hizex
Liquid ethyene
Carlona PXB
Ethylene, compressed
Olefiant gas
Bicolene C
Epolene C
Epolene E
Epolene N
Polyethylene, medium density
Aldyl A
Bulen A
Polyethylene granules, high density
BPE-I
CH2=CH2
Courlene-X3
Ethene, homopolymer, chlorinated, chlorosulfonated
Ethylene, pure
H2C=CH2
HI-Fax
poly(ethylene)
Polyethylene,chlorinated 140B
Alcowax 6
C2H4
AC1L1MA0
AC1O5DW5
Athylen [German]
OR1710
UN1038
UN1962
1,2-ethylene
CTK2H7852
Ethylene, refrigerated liquid (cryogenic liquid)
HSDB 168
Alathon 7140
Alathon 7511
Alithon 7050
Amoco 610A4
Bakelite DFD 330
CHEMBL117822
Ethylene (8CI)
91GW059KN7
Allied PE 617
Alphex FIT 221
Bakelite DHDA 4080
Bareco polywax 2000
C06547
C19503
Ethene (9CI)
DTXSID1026378
LS-2175
LS-2296
OR079736
OR079762
OR326652
OR336843
UN 1038
UN 1962
CHEBI:18153
ethan-1,2-diyl
R-1150
UNII-91GW059KN7
ACM2669898
AN-23824
CMC_13849
Ethylene, >=99.5%
Ethylene, >=99.9%
FCH1113777
Polyethylene as med Mol. Wt.
SC-46754
Bralen KB 2-11
Caswell No. 436
MFCD00084423
ZX-AT020153
Bareco wax C 7500
Polyethylene, low density, <=400 micron
AKOS015915514
EPA Pesticide Chemical Code 041901
Ethylene, 99.99%
FT-0626287
74-85-1
Ethylene, purum, >=99.9%
I14-54492
Polyethylene, low density, 1000 micron
I14-114237
9002-88-4
MCULE-9947181734
EINECS 200-815-3
33060-30-9
56453-76-0
87701-64-2
87701-65-3
MolPort-001-760-368
Ethylene, compressed [UN1962] [Flammable gas]
14736-EP2275408A1
14736-EP2284166A1
14736-EP2289483A1
14736-EP2289896A1
14736-EP2292608A1
14736-EP2295422A2
14736-EP2298749A1
14736-EP2316830A2
14736-EP2371806A1
14736-EP2371807A1
14736-EP2371823A1
14736-EP2377844A2
16123-EP2281563A1
16123-EP2308848A1
16123-EP2316459A1
38154-EP2272848A1
38154-EP2301927A1
38154-EP2311796A1
38154-EP2311797A1
38154-EP2311798A1
38154-EP2311799A1
38154-EP2374526A1
73866-EP2270101A1
73866-EP2289891A2
73866-EP2308926A1
Ethylene, Messer(R) CANGas, 99.98%
Ethylene, compressed [UN1962] [Flammable gas]
Polyethylene, UHMW, >150 micron, MW 3-6 million
Ethylene, puriss., >=99.95% (GC)
Ethylene, refrigerated liquid (cryogenic liquid) [UN1038] [Flammable gas]
Polyethylene rod, High Density, 16mm (0.63in) dia
Polyethylene rod, High Density, 19mm (0.75in) dia
Polyethylene rod, Low Density, 16mm (0.63in) dia
Polyethylene rod, Low Density, 19mm (0.75in) dia
Polyethylene sheet, High Density, 12.7mm (0.5in) thick
Polyethylene sheet, Low Density, 12.7mm (0.5in) thick
Polyethylene sheet, Low Density, 4.8mm (0.19in) thick
Ethylene, refrigerated liquid (cryogenic liquid) [UN1038] [Flammable gas]
Polyethylene rod, High Density, 12.7mm (0.5in) dia
Polyethylene rod, Low Density, 12.7mm (0.5in) dia
Polyethylene sheet, High Density, 1.6mm (0.063in) thick
Polyethylene sheet, High Density, 6.35mm (0.25in) thick
Polyethylene sheet, Low Density, 1.6mm (0.063in) thick
Polyethylene sheet, Low Density, 6.35mm (0.25in) thick
Polyethylene rod, High Density, 6.35mm (0.25in) dia
Polyethylene rod, Low Density, 6.35mm (0.25in) dia
Polyethylene sheet, High Density, 3.18mm (0.125in) thick
Polyethylene sheet, Low Density, 3.18mm (0.125in) thick
IUPAC nameethene
SMILESC=C
InchiInChI=1S/C2H4/c1-2/h1-2H2
FormulaC2H4
PubChem ID6325
Molweight28.054
LogP1.11
Atoms6
Bonds5
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes

mVOC Specific Details

Volatilization
The Henry's Law constant for ethylene is 0.228 atm-cu m/mole(1). This Henry's Law constant indicates that ethylene 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 30 minutes(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 2 days(SRC). Ethylene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Ethylene is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 5.21X10+4 mm Hg(3).
Literature: (1) Wasik SP, Tsang W; J Phys Chem 74: 2970-6 (1970) (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 ethylene is estimated as 98(SRC), using a log Kow of 1.13(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that ethylene 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. 4 (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)
Vapor Pressure
PressureReference
5.21X10+4 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.
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
BacteriaPseudomonas Solanacearumn/aStotzky and Schenk, 1976
BacteriaStreptomyces Spp.n/aStotzky and Schenk, 1976
FungiAspergillus Clavatusn/aStotzky and Schenk, 1976
FungiBlastomyces Dermatitidisn/aStotzky and Schenk, 1976
FungiCeratocystis Fimbriatan/aStotzky and Schenk, 1976
FungiMucor Hiemalisn/aStotzky and Schenk, 1976
FungiPenicillium Digitatumn/aStotzky and Schenk, 1976
FungiTuber Borchii 43BOInduce alterations in root morphology of the host Cistus incanus and the nonhost Arabidopsis (Arabidopsis thaliana ; i.e. primary root shortening, lateral root formation, root hair stimulation)Splivallo et al., 2009
FungiTuber Borchii ATCC 96540Induce alterations in root morphology of the host Cistus incanus and the nonhost Arabidopsis (Arabidopsis thaliana ; i.e. primary root shortening, lateral root formation, root hair stimulation)Splivallo et al., 2009
FungiTuber MelanosporumInduce alterations in root morphology of the host Cistus incanus and the nonhost Arabidopsis (Arabidopsis thaliana ; i.e. primary root shortening, lateral root formation, root hair stimulation)Splivallo et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaClostridium Sp.n/an/a
BacteriaPseudomonas Solanacearumn/an/a
BacteriaStreptomyces Spp.n/an/a
FungiAspergillus Clavatusn/an/a
FungiBlastomyces Dermatitidisn/an/a
FungiCeratocystis Fimbriatan/an/a
FungiMucor Hiemalisn/an/a
FungiPenicillium Digitatumn/an/a
FungiTuber Borchii 43BOMalt extract agar SPME-GC-MS
FungiTuber Borchii ATCC 96540Malt extract agar SPME-GC-MS
FungiTuber MelanosporumMalt extract agar SPME-GC-MS


3,5,5-trimethylcyclohex-2-en-1-one

Mass-Spectra

Compound Details

Synonymous names
Isoacetophorone
Isooctopherone
ISOPHORONE
HJOVHMDZYOCNQW-UHFFFAOYSA-N
Isoforon
Isoforone
Isophoron
Izoforon
alpha-Isophorone
Isophorone Reagent Grade
Isophorone, analytical standard
AC1L1MRJ
AC1Q2HBB
AC1Q2HBC
ISOPHORONE, REAG
Isoforone [Italian]
.alpha.-Isophoron
.alpha.-Isophorone
2BR99VR6WA
Izoforon [Polish]
K387
KSC377I8H
3,5,5-Trimethylcyclohexenone
ACMC-209pep
Isophorone, 97%
NSC4881
SCHEMBL22522
UNII-2BR99VR6WA
CTK2H7483
HSDB 619
I0151
BIDD:ER0627
RL05042
C14743
CCRIS 1353
DSSTox_CID_759
3,5-Trimethyl-2-cyclohexenone
3,5,5-Trimethylcyclohexen one
BBL027346
CHEMBL1882894
DTXSID8020759
LS-1750
NSC-4881
NSC403657
OR000839
OR341384
STK801792
A839454
CHEBI:34800
NCI-C55618
AC-10580
AN-42106
ANW-37199
CJ-14631
DSSTox_GSID_20759
Isophorone, >=97%, FG
SC-74911
TRA0010206
BB_NC-0161
Caswell No. 506
DSSTox_RID_75774
MFCD00001584
ZINC14822379
AI3-00046
NSC 403657
NSC-403657
RTR-025123
ST50330654
TR-025123
AKOS000120392
AKOS025243269
EPA Pesticide Chemical Code 047401
I14-2746
W-104274
3,5,5-Trimethyl-2-cyclohexenone
3,5,5-Trimethylcyclohex-2-enone
BRN 1280721
FEMA No. 3553
FT-0627443
78-59-1
Tox21_202312
Tox21_300050
F0001-2053
1,3-Trimethyl-3-cyclohexene-5-one
3,5-Trimethyl-2-cyclohexen-1-one
3,5-Trimethyl-2-cyclohexene-1-one
CAS-78-59-1
Isophorone, Vetec(TM) reagent grade, 97%
3,5-Trimetil-2-cicloesen-1-one
MCULE-5564101474
NCGC00164006-01
NCGC00164006-02
NCGC00164006-03
NCGC00254115-01
NCGC00259861-01
3,5,5-Trimethylcyclohexen-2-one-1
EINECS 201-126-0
2-Cyclohexen-1-one,5,5-trimethyl-
WLN: L6V BUTJ C1 D1 D1
1,1,3-Trimethyl-3-cyclohexene-5-one
1,5,5-Trimethyl-1-cyclohexen-3-one
3,3,5-Trimethyl-2-cyclohexen-1-one
3,5,5-trimethyl-1-cyclohex-2-enone
3,5,5-Trimethyl-2-cyclohexen-1-one
3,5,5-Trimethyl-2-cyclohexene-1-one
3,5,5-Trimethylcyclohex-2-en-1-one
3,5,5-trimethylcyclohexa-2-en-1-one
MolPort-000-701-433
3,5,5-Trimethyl-2-cyclohexen-1-on
3,5,5-Trimetil-2-cicloesen-1-one
3,3,5-trimethyl-cyclohex-5-en-1-one
3,5,5-trimethyl-cyclohex-2-en-1-one
Isophorone-2,4,4,6,6-d5
2-Cyclohexen-1-one, 3,5,5-trimethyl-
3,3,5-trimethyl-cyclohex-5 -en-1-one
3,5-Trimethyl-2-cyclohexen-1-on (GERMAN, DUTCH)
3,5,5-Trimetil-2-cicloesen-1-one [Italian]
4-07-00-00165 (Beilstein Handbook Reference)
3,5,5-Trimethyl-2-cyclohexen-1-on [German, Dutch]
InChI=1/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H
IUPAC name3,5,5-trimethylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CC(C1)(C)C
InchiInChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
FormulaC9H14O
PubChem ID6544
Molweight138.21
LogP2.32
Atoms24
Bonds24
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Alkenes Ketones

mVOC Specific Details

Volatilization
The Henry's Law constant for isophorone is estimated as 6.6X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 0.438 mm Hg(1), and water solubility, 12,000 mg/l(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)(3) is estimated as 7 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 52 days(SRC). Isophorone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Isophorone is not 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) Parrish CF; Kirk-Othmer Encycl Chem Tech 3rd; NY, NY: Wiley-Intrsci 21: 377-401 (1983) (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 isophorone is estimated as 200(SRC), using a log Kow of 1.7(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isophorone is expected to have moderate mobility in soil.
Literature: (1) Veith GD et al; pp. 116-29 in Aquatic Toxicology. Easton JG et al, eds. Amer Soc Test Mat ASTM STP 707 (1980) (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)
Vapor Pressure
PressureReference
0.438 mm Hg @ 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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaOscillatoria Perornatan/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaOscillatoria Perornatan/an/a


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

Mass-Spectra

Compound Details

Synonymous names
CDOSHBSSFJOMGT-UHFFFAOYSA-N
Linalool
Linanool
Linolool
Linalol
Linalool, primary pharmaceutical reference standard
LINALYL ALCOHOL
Natural Linalool
Phantol
allo-Ocimenol
beta-Linalool
Linalool, analytical standard
Howood Oil
p-Linalool
AC1L1MRY
AC1Q1NVD
AC1Q1NVE
Linalool ex orange oil
AC1Q2BP3
Linalool (natural)
Linalool ex ho oil
.beta.-Linalool
GTPL2469
KSC377K8J
LINALOOL EX BOIS DE ROSE
CHEMBL25306
NSC3789
SCHEMBL20316
(S)-Linalol
CTK2H7584
HSDB 645
L0048
Linalool, 97%
LINOLOOL (D)
AC-551
ACMC-209pf1
Linalool ex bois de rose oil
RP21877
C03985
CCRIS 3726
CCRIS 6557
HMS2268E18
Linalool, .beta.
Linalool, certified reference material, TraceCERT(R)
BBL027734
BC207603
BT000180
DTXSID7025502
FEMA Number 2635
LP067292
LS-1752
NSC 3789
NSC-3789
OR341488
SBB012353
ST069326
STL373777
( )-linalool
CHEBI:17580
DSSTox_CID_5502
AK-50127
AN-15757
AN-22986
ANW-37211
Caswell No. 526A
DSSTox_GSID_25502
FCH1115719
LS-97796
SC-74998
BB_NC-0123
DSSTox_RID_77812
MFCD00008906
AI3-00942
DB-062552
KB-179981
RTR-030706
TR-030706
WLN: 1U1XQ1&3UY1&1
( -)-Linalool
(+-)-Linalool
AKOS015901617
BB_NC-00123
EPA Pesticide Chemical Code 128838
Q-201306
2,7-octadiene-6-ol
3,6-octadien-3-ol
BRN 1721488
FEMA No. 2635
FT-0614785
MLS002152908
SMR000112394
78-70-6
I14-13929
2,7-dien-6-ol
3,6-dien-3-ol
Tox21_201658
Tox21_303037
(+/-) LINALOOL
Linalool, >=97%, FCC, FG
CAS-78-70-6
MCULE-2407576698
NCGC00091688-01
NCGC00091688-02
NCGC00091688-03
NCGC00091688-04
NCGC00257060-01
NCGC00259207-01
EINECS 201-134-4
EINECS 204-811-2
EINECS 245-083-6
11024-20-7
22564-99-4
LINALOOL, (+-)-
EC 201-134-4
MolPort-001-783-101
(.+/-.)-Linalool
2,6-Dimethyl-2,7-octadien-6-ol
2,6-Dimethyl-2,7-octadiene-6-ol
2,6-Dimethylocta-2,7-dien-6-ol
3,7-Dimethyl-1,6-octadien-3-ol
3,7-Dimethyl-1,6-octadien-3-ol|
3,7-Dimethylocta-1,6-dien-3-ol
dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene
CU-01000013132-2
WLN: 1Y1&U3XQ1&1U1 -,-
1,6-Octadien-3-ol,3,7-Dimethyl-
3,7-dimethyl-octa-1,6-dien-3-ol
DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene
1,6-Octadien-3-ol, 3,7-dimethyl-
2,7-Octadien-6-ol, 2,6-dimethyl-
0-01-00-00462 (Beilstein Handbook Reference)
(?)-3,7-Dimethyl-1,6-octadien-3-ol
(1)-3,7-Dimethyl-1,6-octadien-3-ol
1, 3,7-dimethyl-, (-)-
(+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene
(+/-)-3,7-Dimethyl-1,6-octadien-3-ol
1,6-Octadien-3-ol, 3,7-dimethyl-, (R)-
1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-
1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-
1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-
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
Molweight154.253
LogP2.65
Atoms29
Bonds28
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Alkenes Alcohols

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
FungiArmillaria Mellean/aMueller et al., 2013
FungiClitocybe OdoraFranceBreheret et al. 1997
FungiHydnum RepandumFranceBreheret et al. 1997
FungiLactarius SalmonicolorFranceBreheret et al. 1997
FungiLepista NudaFranceBreheret et al. 1997
FungiMycena RoseaFranceBreheret et al. 1997
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTricholoma SulfureumFranceBreheret et al. 1997
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace ( using stir bar sorptive extraction )/ GC-MS
FungiClitocybe Odoraforest soilsolvent extraction, headspace, GCMSno
FungiHydnum Repandumforest soilsolvent extraction, headspace, GCMSno
FungiLactarius Salmonicolorforest soilsolvent extraction, headspace, GCMSno
FungiLepista Nudaforest soilsolvent extraction, headspace, GCMSno
FungiMycena Roseaforest soilsolvent extraction, headspace, GCMSno
FungiPaxillus Involutus MAJMelin-Nor krans synthetic medium (modified)Headspace ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus NAUMelin-Nor krans synthetic medium (modified)Headspace ( using stir bar sorptive extraction )/ GC-MS
FungiPiptoporus BetulinusnaGC/MSNo
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace ( using stir bar sorptive extraction )/ GC-MS
FungiTricholoma Sulfureumforest soilsolvent extraction, headspace, GCMSno


2-methylbuta-1,3-diene

Mass-Spectra

Compound Details

Synonymous names
Isopentadiene
isoterpene
Chlorinated natural rubber
beta-Methylbivinyl
isopreno
ISOPRENE
RRHGJUQNOFWUDK-UHFFFAOYSA-N
Isopren
Polyisoprene, chlorinated
2-Methylbutadiene
Isoprene, analytical standard
2-Methyldivinyl
Isoprene, inhibited
AC1L1MSM
ISOPRENE, REAG
AC1Q1J4I
AC1Q1J4J
.beta.-Methylbivinyl
ACMC-209slm
NSC9237
7380AF
UN1218
Isoprene, >=99%
HSDB 620
I0160
I0772
CTK2H7308
RL05044
CH2=C(CH3)CH=CH2
CCRIS 6253
C16521
bmse000844
DSSTox_CID_761
0A62964IBU
LTBB001094
LS-1754
DTXSID2020761
NSC 9237
NSC-9237
OR000132
OR098975
OR327531
OR341562
CHEMBL1566132
UNII-0A62964IBU
ZINC1699876
CHEBI:35194
ANW-41336
DSSTox_GSID_20761
AN-42118
WLN: 1UY1&1U1
KB-52802
TRA0042245
DSSTox_RID_75776
MFCD00008600
TR-037841
3-Methyl-1,3-butadiene
2-Methylbuta-1,3-diene
2-Methyl-1,3-butadiene
RTR-037841
J-509898
AKOS000119971
FT-0627457
I14-49147
I14-19787
78-79-5
Tox21_200067
2-methyl-buta-1,3-diene
3B1-007327
CAS-78-79-5
NCGC00257621-01
NCGC00091078-02
NCGC00091078-01
1,3-Butadiene, 2-methyl-
EINECS 201-143-3
Isoprene, 99%, stabilized 100ml
UN 1218 (Salt/Mix)
68441-58-7
78006-92-5
954-EP2301924A1
954-EP2272935A1
954-EP2272843A1
1,3-Butadiene, 2-methyl-, homopolymer
954-EP2374781A1
954-EP2374780A1
954-EP2305825A1
954-EP2305668A1
954-EP2277945A1
954-EP2298313A1
954-EP2275427A1
954-EP2281817A1
954-EP2270113A1
954-EP2270101A1
823271-95-0
Isoprene, inhibited [UN1218] [Flammable liquid]
1,3-Butadiene, 2-methyl-, homopolymer, chlorinated
3-BUTENYL, 2-METHYLENE-(8CI,9CI)
Isoprene, 99%, contains <1000 ppm p-tert-butylcatechol as inhibitor
Isoprene, inhibited [UN1218] [Flammable liquid]
InChI=1/C5H8/c1-4-5(2)3/h4H,1-2H2,3H
IUPAC name2-methylbuta-1,3-diene
SMILESCC(=C)C=C
InchiInChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
FormulaC5H8
PubChem ID6557
Molweight68.119
LogP1.88
Atoms13
Bonds12
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes

mVOC Specific Details

Volatilization
The Henry's Law constant for isoprene is estimated as 0.077 atm-cu m/mole(SRC) derived from its vapor pressure, 550 mm Hg(1), and water solubility, 642 mg/L(2). This Henry's Law constant indicates that isoprene 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 2.4 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)(3) is estimated as 3.3 days(SRC). Isoprene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of isoprene from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Zwolinski BJ, Wilhoit RC; Handbook of Vapor Pressures and Heats of Formation of Hydrocarbons and Related Compounds. API44-TRC101 College Station, TX: Thermodynamics Res Ctr p. 48 (1971) (2) McAuliffe C; J Phys Chem 70: 1267-75 (1966) (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 isoprene is estimated as 61(SRC), using a log Kow of 2.42(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isoprene is expected to have high mobility in soil.
Literature: (1) Chemicals Inspection and Testing Institute. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992) (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)
Vapor Pressure
PressureReference
550 mm Hg at 25 deg CZwolinski BJ, Wilhoit RC; Handbook of Vapor Pressures and Heats of Vaporization of Hydrocarbons and Related Compounds. API44-TRC101 College Station, TX: Thermodynamics Res Ctr p. 48 (1971)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaBurkholderia Sp. AD24bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaPaenibacillus Sp. AD87bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
FungiTuber Borchiin/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
BacteriaAMI 386protection against heat stress, stabilizes cell membranes in response to heat stressbreathing zone of a waste collection workerWilkins, 1996
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Spp.n/aSchulz and Dickschat, 2007
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaEnterobacter Cloacae SM 639protection against heat stress, stabilizes cell membranes in response to heat stressubiquitary,intestinalSchoeller et al., 1997
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaPseudomonas Aeruginosa ATCC 10145protection against heat stress, stabilizes cell membranes in response to heat stresssoil, water, skin floraSchoeller et al., 1997
BacteriaPseudomonas Fluorescens R2Fprotection against heat stress, stabilizes cell membranes in response to heat stresssoil, water, plantsSchoeller et al., 1997
BacteriaPseudomonas Putida KT 2442protection against heat stress, stabilizes cell membranes in response to heat stressnaSchoeller et al., 1997
BacteriaPseudonocardia Sp.n/aSchulz and Dickschat, 2007
BacteriaPseudonocardia Thermophila DSM 43832protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaSaccharomonospora Rectivirgula DSM 43113protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaSaccharomonospora Sp.n/aSchulz and Dickschat, 2007
BacteriaSaccharomonospora Viridis DSM 43017protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaSerratia Liquefaciens SM 1302protection against heat stress, stabilizes cell membranes in response to heat stresssoil, water, plants; digestive tracts of rodents, insects, fish, humansSchoeller et al., 1997
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus CBS 659.68n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus ETH 22014n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 13387n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor ATCC 21666n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes IFO 13814n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 243n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus IFO 12382n/aSchoeller et al., 2002
BacteriaThermoactinomyces Spp.n/aSchulz and Dickschat, 2007
BacteriaThermoactinomyces Vulgaris DSM 43016protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaThermomonospora Fusca DSM 43792protection against heat stress, stabilizes cell membranes in response to heat stresssoilWilkins, 1996
BacteriaThermomonospora Sp.n/aSchulz and Dickschat, 2007
FungiAspergillus Fumigatus Strain FGSC A1163Heddergott et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaBurkholderia Sp. AD24TSBAGC-Q-TOFno
BacteriaPaenibacillus Sp. AD87TSBAGC-Q-TOFno
FungiTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
BacteriaAMI 386Nutrient agar CM3 + 50mg/l actidioneGC/MS
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Spp.n/an/a
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaEnterobacter Cloacae SM 639AB medium + 1% citrateGC-FID,GC/MS
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaPseudomonas Aeruginosa ATCC 10145AB medium + 1% citrateGC-FID,GC/MS
BacteriaPseudomonas Fluorescens R2FAB medium + 1% citrateGC-FID,GC/MS
BacteriaPseudomonas Putida KT 2442AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MS
BacteriaPseudonocardia Sp.n/an/a
BacteriaPseudonocardia Thermophila DSM 43832Nutrient agar CM3GC/MS
BacteriaSaccharomonospora Rectivirgula DSM 43113Nutrient agar CM3GC/MS
BacteriaSaccharomonospora Sp.n/an/a
BacteriaSaccharomonospora Viridis DSM 43017Nutrient agar CM3GC/MS
BacteriaSerratia Liquefaciens SM 1302AB medium + 1% citrateGC-FID,GC/MS
BacteriaStreptomyces Albidoflavus AMI 246Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticus CBS 659.68Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Antibioticus ETH 22014Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Aureofaciens ETH 13387Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Aureofaciens ETH 28832Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Coelicolor ATCC 21666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Coelicolor DSM 40233Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes ETH 18822Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Diastatochromogenes IFO 13814Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus ATCC 23345Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus IFO 13849Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
BacteriaStreptomyces Hirsutus ATCC 19773Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hirsutus ETH 1666Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus ATCC 27438Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Hygroscopicus IFO 13255Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus DSM 40091Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Murinus NRRL 8171Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Rishiriensis AMI 224Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Spp.n/an/a
BacteriaStreptomyces Spp. AMI 240Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Spp. AMI 243Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Thermoviolaceus CBS 111.62Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaStreptomyces Thermoviolaceus IFO 12382Emmerson's yeast starch agarHeadspace trapping, GC-FID/GC-MS
BacteriaThermoactinomyces Spp.n/an/a
BacteriaThermoactinomyces Vulgaris DSM 43016Nutrient agar CM3GC/MS
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
BacteriaThermomonospora Sp.n/an/a
FungiAspergillus Fumigatus Strain FGSC A1163Brian`s broth, AMM, RPMI 1640SPME / GC-MS


Prop-2-enoic Acid

Mass-Spectra

Compound Details

Synonymous names
CALCIUMPOLYCARBOPHIL
Carboxypolymethylene resin
Ethylenecarboxylic acid
Polyacrylate elastomers
Polyacrylate
Acrylicacid
Calcium polyacrylate
Carbomerum
Propenoate
Acrylates
Carbomer
Carbomere
Carbomero
Carbopol
Kyselina akrylova
NIXOWILDQLNWCW-UHFFFAOYSA-N
Acide acrylique
Acrylic acid homopolymer
Acrylic polymer
Acrylic polymers
POLYACRYLIC ACID
Polymerized acrylic acid
Vinylformic acid
Acido acrilio
Acroleic acid
Acrylic resin
Aron
CH2=CHCOOH
Phytogel base
Propenoic acid
Propenoic acid polymer
ACRYLIC ACID
Carboxy vinyl polymer
Glacial acrylic acid
Propene acid
Synthalen K
XPA
2-Propenoicacid
Acrylic acid homopolymer calcium salt
Acrylic acid resin
Antiprex A
AC1L1MUM
ACMC-1CHHZ
Acrylic acid sodium salt
Acrylic acid, inhibited
Versicol E9
Acrylic acid, glacial
Acrylic acid, polymer
Acrylic acid, polymers
2-Propenoic acid
AC1Q2A9H
AC1Q71VY
AC1Q71VZ
prop-2-enoicacid
Versicol E15
Atactic poly(acrylic acid)
Dispex C40
J94PBK7X8S
2-Hydroxyethyl methacrylate vinyl acetate 2-ethylhexyl acrylate polymer
2-Propenoic acid, homopolymer
AC1Q71W0
Acide acrylique [French]
Acritamer 940
Acrysol A 1
Acrysol A 3
Acrysol A 5
Acrysol A-1
Acrysol AC 5
Carbomer 940
Carbopol 934p
Carbopol 940
Carbopol 960
Carboset 515
Kyselina akrylova [Czech]
R968
Revacryl A191
Versicol E 7
2-Propenic acid, homopolymer
7023AF
Acido acrilio [Spanish]
ACRYLIC ACID ;
Acrylic acid, low water content
Acrysol ase-75
Carbomere [INN-French]
Carbomero [INN-Spanish]
Carbomerum [INN-Latin]
Cyguard 266
Joncryl 678
Junlon 110
Jurimer AC 10H
Jurimer AC 10P
Nalfloc 636
NSC4765
OLD 01
P 11H
P-11H
PA 11M
PAA-25
PubChem21090
UN2218
UNII-9G2MAD7J6W
UNII-F68VH75CJC
UNII-J94PBK7X8S
Viscalex HV 30
Viscon 103
WS 24
2-Propenoic acid, block polymer with sulfonated ethenylbenzene
A0141
Acrysol WS-24
CCRIS 737
CTK1A2288
DSSTox_CID_28
Primal Ase 60
prop-2-enoic acid
Rohagit SD 15
Versicol K 11
Versicol S 25
Aron A 10H
Carbopol CV 940
DB02579
DB05384
RP18305
WLN: QV1U1
WS 801
A11196
C00511
C19501
D03392
D03393
D03394
D03395
D03396
D03397
Dow Latex 354
HSDB 1421
LTBB002138
RCRA waste number U008
Revacryl A 191
UNII-4Q93RCW27E
UNII-KD3S7H73D3
ZINC895281
AK163245
CHEMBL1213529
DR000102
DTXSID0039229
LS-1772
NSC 4765
NSC-4765
NSC106034
NSC106035
NSC106036
NSC106037
NSC112122
NSC112123
NSC114472
NSC165257
NSC226569
OR181227
OR249619
OR254740
OR254741
STL281870
A830860
CHEBI:18308
Good-rite K 37
2-Propenoic acid, homopolymer, calcium salt
AJ-24167
AN-19482
AN-36929
ANW-43674
C3:1n-1
Caswell No. 009A
DSSTox_GSID_39229
Good-rite WS 801
SC-46753
SC-46797
TRA0086478
DSSTox_RID_79425
Good-rite K 702
Good-rite K 732
LMFA01030193
MFCD00004367
MFCD00084394
MFCD00147949
Sodium polyacrylate, MW ~8000
Synthemul 90-588
AI3-15717
Carboset Resin No. 515
KB-174465
NSC-106034
NSC-106035
NSC-106036
NSC-106037
NSC-112122
NSC-112123
NSC-114472
NSC-165257
NSC-226569
RTR-025215
ST24045909
TR-025215
UNII-809Y72KV36
AKOS000118799
I04-0428
I04-1350
RCRA waste no. U008
Z57127944
BRN 0635743
Carbomer 934 (NF)
Carbomer 934P (NF)
Carbomer 940 (NF)
Carbomer 941 (NF)
Carbopol 910 (TN)
Carbopol 934 (TN)
Carbopol 934P (TN)
Carbopol 940 (TN)
Carbopol 941 (TN)
FT-0621875
UNII-K61870Z308
79-10-7
I14-92633
Carbomer 1342 (NF)
Carbomer 940 [USAN:NF]
Carbopol 1342 (TN)
Tox21_112372
F0001-2070
CAS-79-10-7
9003-01-4
9003-04-7
MCULE-9352227082
NCGC00166246-01
EINECS 201-177-9
11132-69-7
25987-55-7
29862-29-1
37241-23-9
39341-22-5
51142-25-7
54578-44-8
54990-82-8
55927-87-2
56747-65-0
59233-19-1
65742-16-7
71767-27-6
71767-28-7
76050-42-5
81031-52-9
82446-45-5
82446-46-6
87913-02-8
88650-89-9
ACRYLIC ACID, [1-14C]
UN 2218 (Salt/Mix)
Acrylic acid, p.a., 99%
101360-15-0
104625-85-6
104922-39-6
105913-47-1
125857-68-3
125857-69-4
131094-47-8
165724-08-3
168564-56-5
169799-28-4
170473-89-9
174594-09-3
230287-43-1
471251-42-0
746620-96-2
746620-98-4
1312-EP2270113A1
1312-EP2272935A1
1312-EP2275469A1
1312-EP2287940A1
1312-EP2289965A1
1312-EP2298753A1
1312-EP2305033A1
1312-EP2308857A1
1312-EP2308861A1
1312-EP2308865A1
1312-EP2308882A1
1312-EP2374784A1
1312-EP2374785A1
1313-EP2272537A2
1313-EP2289894A2
1313-EP2298743A1
1313-EP2308833A2
1313-EP2311840A1
1313-EP2371811A2
1313-EP2374787A1
2186-EP2277879A1
2186-EP2305636A1
2186-EP2311821A1
2186-EP2374787A1
3854-EP2270113A1
3854-EP2272849A1
3854-EP2272935A1
3854-EP2275414A1
3854-EP2275418A1
3854-EP2277565A2
3854-EP2277566A2
3854-EP2277567A1
3854-EP2277568A2
3854-EP2277569A2
3854-EP2277570A2
3854-EP2289879A1
3854-EP2292280A1
3854-EP2298753A1
3854-EP2302003A1
3854-EP2305219A1
3854-EP2305683A1
3854-EP2305684A1
3854-EP2308857A1
3854-EP2308858A1
3854-EP2309584A1
3854-EP2311816A1
3854-EP2311817A1
3854-EP2311831A1
3854-EP2311839A1
3854-EP2311840A1
3854-EP2314589A1
3854-EP2315303A1
3854-EP2316837A1
3854-EP2371803A1
3854-EP2372017A1
3854-EP2374538A1
3854-EP2374786A1
3854-EP2377842A1
3854-EP2377843A1
3854-EP2377847A1
Acrylic acid, 99%, stabilized 100g
MolPort-000-871-611
1265528-53-7
9003-04-7 (unspecified hydrochloride salt)
Acrylic acid, inhibited [UN2218] [Corrosive]
7446-81-3 (hydrochloride salt)
Poly(acrylic acid), 35 wt% soln. in water
9003-01-4 (Parent)
5698-98-6 (magnesium salt)
9003-03-6 (ammonium salt)
Block copolymer of sulfonated polystyrene and polyacrylic acid (MW 250,000)
5651-26-3 (silver salt)
Acrylic acid, inhibited [UN2218] [Corrosive]
10192-85-5 (potassium salt)
10604-69-0 (ammonium salt)
15743-20-1 (aluminum salt)
25987-55-7 (calcium salt)
Acrylic acid, anhydrous, contains 200 ppm MEHQ as inhibitor, 99%
14643-87-9 (zinc salt)
4-02-00-01455 (Beilstein Handbook Reference)
2-Propenoic acid, 2-methyl-, 2-hydroxyethyl ester, polymer with ethenyl acetate and 2-ethylhexyl 2-propenoate
58197-53-8 (cobalt(2+) salt)
6292-01-9 (calcium[2:1] salt)
51366-35-9 (calcium[2:1] salt.dihydrate)
55488-18-1 (iron(3+) salt)
Acrylic acid, SAJ first grade, >=97.0%, contains 190-210 ppm MEHQ as stabilizer
InChI=1/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5
IUPAC nameprop-2-enoic acid
SMILESC=CC(=O)O
InchiInChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
FormulaC3H4O2
PubChem ID6581
Molweight72.063
LogP0.53
Atoms9
Bonds8
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAcids Alkenes carboxylic acids

mVOC Specific Details

Volatilization
A pKa of 4.26(1) indicates acrylic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil is not expected to be an important fate process(2). The potential for volatilization of acrylic acid from dry soil surfaces may exist(SRC) based upon a vapor pressure of 3.97 mm Hg(3).
Literature: (1) Riddick JA et al; Organic Solvents: Physical Properties and Methods of Purification. Techniques of Chemistry. 4th ed. New York, NY: Wiley-Interscience (1986) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds, Boca Raton, FL: Lewis Publ (2000) (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 5 Vol (1987)
Soil Adsorption
Koc values for acrylic acid have been reported as 6 in Washington clay/loam (29% sand, 42% silt, 29% clay, 3.39% organic carbon, pH 6.0), 9 in Canfield loam (45% sand, 42% silt, 13% clay, 4.58% organic carbon, pH 6.1), 29 in Ellsworth loam (35% sand, 40% silt, 25% clay, 1.42% organic carbon, pH 7.2), 137 in Tyner loamy sand (79% sand, 14% silt, 7% clay, 0.46% organic carbon, pH 5.2), and 33 in sandy loam sediment (53% sand, 28% silt, 19% clay, 1.23% organic carbon, pH 7.5)(1) According to a classification scheme(2), these Koc values suggest that acrylic acid is expected to have very high to high mobility in soil. The pKa of acrylic acid is 4.26(3), indicating that this compound will exist almost entirely 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(4).
Literature: (1) Staples CA et al; Chemosphere 40: 29-38 (2000) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Riddick JA et al; Organic Solvents: Physical Properties and Methods of Purification. Techniques of Chemistry. 4th ed. New York, NY: Wiley-Interscience (1986) (4) 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
3.97 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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
BacteriaClostridium Sp.n/aStotzky and Schenk, 1976
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Aestivumn/an/a
BacteriaClostridium Sp.n/an/a


4,6,6-trimethylbicyclo[3.1.1]hept-3-ene

Mass-Spectra

Compound Details

Synonymous names
Phosphosulfurized alpha-pinene
ALPHA-PINENEPOLYMER
alphapinene
GRWFGVWFFZKLTI-UHFFFAOYSA-N
Cyclic dexadiene
alpha-Pinene, phosphosulfurized
Pinene isomer
alpha pinene
ALPHA-PINENE
Sylvapine A
Acintene A
Acitene A
Wilt Pruf
Alpha Pinene PF
DL-ALPHA-PINENE
2-Pinene
PINENE, ALPHA
1R-alpha-Pinene
AC1L1N0D
alpha-pinene, pinene
alpha-Pinene(dextro)
1R-a-Pinene
.alpha.-Pinene
alpha-Pinene (natural)
NSC7727
pin-2-ene
UN2368
CCRIS 697
CTK5E7908
HMDB06525
HSDB 720
CHEMBL442565
NSC94522
NSC94523
PC 500
alpha [D] Pinene
alpha [L] Pinene
C09880
BT000143
DTXSID4026501
FEMA Number 2902
LS-2348
NSC 7727
NSC-7727
OR038360
OR246844
OR249294
Pinene, .alpha.
SBB060477
UN 2368
1R-.alpha.-Pinene
1S-.alpha.-Pinene
CHEBI:36740
DSSTox_CID_6501
AN-19420
AN-19426
AN-42193
DSSTox_GSID_26501
NSC-94522
NSC-94523
SC-18193
DSSTox_RID_78126
PINENE, ALPHA (D)
PINENE, ALPHA (L)
AI3-24594
ST51046656
AKOS000121239
Q-201582
(+)-a-Pinene
BRN 3194807
FEMA No. 2902
FT-0604379
FT-0604414
FT-0622197
FT-0698080
pin-2(3)-ene
(R)-.alpha.-Pinene
80-56-8
(+-)-alpha-pinene
Tox21_110996
Tox21_200108
Tox21_303385
1R-(+)-alpha-pinene
alpha-Pinene, phosphorus pentasulfide reaction product (4:1)
DL-Pin-2(3)-ene
CAS-80-56-8
1R-(+)-a-pinene
MCULE-3589656574
NCGC00090682-01
NCGC00090682-02
NCGC00257379-01
NCGC00257662-01
(+-)-2-pinene
(+/-)-alpha-Pinene
EINECS 201-291-9
EINECS 219-445-9
EINECS 267-032-7
25766-18-1
39388-04-0
39423-40-0
50815-61-7
53569-35-0
56833-58-0
57762-87-5
67762-73-6
68411-25-6
72510-05-5
102640-64-2
103657-08-5
459844-87-2
alpha-Pinene [UN2368] [Flammable liquid]
(+/-)-2-Pinene
MolPort-003-926-536
(1R)-(+)-a-Pinene
(+)-Pin-2(3)-ene
2,6-Trimethylbicyclo[3.1.1]-2-heptene
(.+/-.)-.alpha.-Pinene
2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene
2,6,6-Trimethylbicyclo[3.1.1]-2-heptene
2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
4,6,6-Trimethylbicyklo(3,1,1)hept-3-en
Bicyclo[3.1.1]hept-2-ene,6,6-trimethyl-
2,6-Trimethylbicyclo[3.1.1]-2-hept-2-ene
2,6,6-trimethyl-Bicyclo(3.1.1)hept-2-ene
2,6,6-trimethyl-bicyclo[3.1.1]hept-2-ene
2-Pinene, (1S,5S)-(-)-
2,6,6-Trimethyl bicyclo-(3,1,1)-2 heptene
Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl
Bicyclo[3.1.1]hept-2-ene,2,6,6-trimethyl-
2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene
4,6,6-Trimethylbicyklo(3,1,1)hept-3-en [Czech]
Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, phosphosulfurized
Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-
(1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, homopolymer
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R)-
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (.+/-.)-
IUPAC name4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
SMILESCC1=CCC2CC1C2(C)C
InchiInChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
FormulaC10H16
PubChem ID6654
Molweight136.238
LogP2.8
Atoms26
Bonds27
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes Alkenes Bicyclo

mVOC Specific Details

Volatilization
The Henry's Law constant for alpha-pinene is estimated as 0.29 atm-cu m/mole(SRC) derived from its vapor pressure, 4.75 mm Hg(1), and water solubility, 2.49 mg/L(2). This Henry's Law constant indicates that alpha-pinene 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 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 5 days(SRC). alpha-Pinene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of alpha-pinene from dry soil surfaces may exist based upon a vapor pressure of 4.75 mm Hg(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng NY, NY: Hemisphere Pub Corp (1989) (2) Li J, Perdue EM; Physicochemical properties of selected monoterpenes. Pre-print extended abstract, Presented before the Division of Environmental Chemistry, Amer. Chem. Soc., Anaheim, CA, April 2-7, 1995 (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Solubility
ALMOST INSOLUBLE IN PROPYLENE GLYCOL & GLYCERINE
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. 486
Literature: #Sol in alcohol, chloroform, ether, glacial acetic acid, fixed oils
Literature: Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 10th ed. Volumes 1-3 New York, NY: John Wiley & Sons Inc., 1999., p. 2970
Literature: #In water, 2.49 mg/L at 25 deg C
Literature: Li J, Perdue EM; Physicochemical Properties of Selected Monoterpenes. Pre-print Extended Abstract, Presented Before The Division of Environmental Chemistry, Amer Chem Soc, Anaheim, Ca: April 2-7 (1995)
Soil Adsorption
The Koc of alpha-pinene is estimated as 2,600(SRC), using a water solubility of 2.49 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that alpha-pinene is expected to have slight mobility in soil.
Literature: (1) Li J, Perdue EM; Physicochemical properties of selected monoterpenes. Pre-print extended abstract, Presented before the Division of Environmental Chemistry, Amer. Chem. Soc., Anaheim, CA, April 2-7, 1995 (1995) (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
4.75 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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens FZB42Agriculture University of Nanjing, ChinaTahir et al. 2018
BacteriaBacillus Artrophaeus LSSC22Agriculture University of Nanjing, ChinaTahir et al. 2031
BacteriaBurkholderia Sp. AD24bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaPaenibacillus Sp. AD87bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236nasoilWilkins, 1996
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
FungiAspergillus Fumigatuscompost Fischer et al. 2045
FungiCladosporium CladosporiodesHedlund et al 1995
FungiCladosporium HerbarumHedlund et al 1995
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al 1991
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPenicillium SpinulosumHedlund et al 1995
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaStreptomyces Griseusn/aSchulz and Dickschat, 2007
FungiAgrocybe AegeritaFranceBreheret et al. 1997
FungiAmanita OvoideaFranceBreheret et al. 1997
FungiAspergillus Fumigatus Strain FGSC A1163Heddergott et al. 2014
FungiBoletus AestivalisFranceBreheret et al. 1997
FungiCantharellus CibariusFranceBreheret et al. 1997
FungiCortinarius CinnamomeusFranceBreheret et al. 1997
FungiCystoderma AmianthinumFranceBreheret et al. 1997
FungiCystoderma CarchariasFranceBreheret et al. 1997
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
FungiFusarium Graminearum NIV_9n/aBusko et al., 2014
FungiGomphidius GlutinosusFranceBreheret et al. 1997
FungiHydnum RepandumFranceBreheret et al. 1997
FungiHygrophorus AgathosmusFranceBreheret et al. 1997
FungiMycena PuraFranceBreheret et al. 1997
FungiMycena RoseaFranceBreheret et al. 1997
FungiSuillus LuteusFranceBreheret et al. 1997
FungiTricholoma CaligatumFranceBreheret et al. 1997
FungiTricholoma PortentosumFranceBreheret et al. 1997
FungiTricholoma SulfureumFranceBreheret et al. 1997
BacteriaBurkholderia Tropica MTo431n/aTenorio-Salgado et al., 2013
BacteriaEscherichia Coli MG1655Bokinsky et al., 2011
FungiTuber Magnatumn/aItalian geographical areas ( Marche, Border region area between Emilia Romagna and Marche)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens FZB42LBSPME-GC-MSno
BacteriaBacillus Artrophaeus LSSC22LBSPME-GC-MSno
BacteriaBurkholderia Sp. AD24TSBAGC-Q-TOFno
BacteriaPaenibacillus Sp. AD87TSBAGC-Q-TOFno
BacteriaStreptomyces Griseus Subsp. Griseus DSM 40236Nutrient agar CM3GC/MS
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes
FungiAspergillus Fumigatusyest extract sucroseTenax/GC-MSno
FungiCladosporium CladosporiodesGC-MSno
FungiCladosporium HerbarumGC-MSno
FungiFomitopsis PinicolanaGC/MSNo
FungiGanoderma LucidumnaGC/MSNo
FungiMortierella Isabellinadiethyl extraction, GC-MSno
FungiPenicillium Commune PittDG18GC/MS
FungiPenicillium SpinulosumGC-MSno
FungiPiptoporus BetulinusnaGC/MSNo
FungiSpongiporus LeucomallellusnaGC/MSNo
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaMix Of Bacteria(Serratia Proteamaculans 42Mn/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaRivularia Sp.n/an/a
BacteriaStreptomyces Griseusn/an/a
FungiAgrocybe Aegeritaforest soilsolvent extraction, headspace, GCMSno
FungiAmanita Ovoideaforest soilsolvent extraction, headspace, GCMSno
FungiAspergillus Fumigatus Strain FGSC A1163Brian`s broth, AMM, RPMI 1642SPME / GC-MS
FungiBoletus Aestivalisforest soilsolvent extraction, headspace, GCMSno
FungiCantharellus Cibariusforest soilsolvent extraction, headspace, GCMSno
FungiCortinarius Cinnamomeusforest soilsolvent extraction, headspace, GCMSno
FungiCystoderma Amianthinumforest soilsolvent extraction, headspace, GCMSno
FungiCystoderma Carchariasforest soilsolvent extraction, headspace, GCMSno
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_9yeast extract sucrose agarSPME/GC-MS
FungiGomphidius Glutinosusforest soilsolvent extraction, headspace, GCMSno
FungiHydnum Repandumforest soilsolvent extraction, headspace, GCMSno
FungiHygrophorus Agathosmusforest soilsolvent extraction, headspace, GCMSno
FungiMycena Puraforest soilsolvent extraction, headspace, GCMSno
FungiMycena Roseaforest soilsolvent extraction, headspace, GCMSno
FungiSuillus Luteusforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Caligatumforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Portentosumforest soilsolvent extraction, headspace, GCMSno
FungiTricholoma Sulfureumforest soilsolvent extraction, headspace, GCMSno
BacteriaBurkholderia Tropica MTo431Potato dextrose agarHeadspace trapping/ GC-MS
BacteriaEscherichia Coli MG1655Luria-Bertani (LB)
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


But-1-ene

Mass-Spectra

Compound Details

Synonymous names
Ethylethylene
VXNZUUAINFGPBY-UHFFFAOYSA-N
BUTENE
alpha-Butylene
alpha-Butene
Butene, homopolymer, phosphosulfurized
n-Butylene
Poly-alpha-butylene
AC1L1POI
AC1Q2SNX
n-Butene
1-Butylene
Actipol E6
1-BUTENE
Butene-1
Butene, polymer-bound
Butene, homopolymer, phosphosulfurized, steam treated
.alpha.-Butylene
1-Butene-4-ylidyneradical
1-Butene, homopolymer
.alpha.-Butene
1-n-Butene
But-1-ene
but-3-ene
UN1012
B0689
B4410
B4411
CTK2F3507
HSDB 179
1-C4H8
CHEMBL117210
Poly(1-butene)
CCRIS 8970
HSDB 5127
LY001N554L
Butene, 1-
DTXSID1026746
LS-2132
OR012135
OR109292
OR131656
OR248134
OR369112
butan-1,2-diyl
CHEBI:48362
UNII-LY001N554L
AN-17664
AN-22456
TRA0084283
1-Butene, >=99%
MFCD00009383
ZINC96328298
DB-040719
LS-178728
LT01409539
RTR-001369
TR-001369
AKOS009156841
FT-0607556
FT-0694873
I14-17824
1-Butene, >=99.6%
106-98-9
3B1-008896
1735-75-7
9003-28-5
MCULE-8167907130
EINECS 203-449-2
EINECS 246-689-3
25038-50-0
25167-67-3
33004-02-3
54366-07-3
61788-35-0
Butylene [UN1012] [Flammable gas]
172345-47-0
197852-64-5
MolPort-019-903-518
10950-EP2269610A2
10950-EP2277848A1
10950-EP2277867A2
10950-EP2280003A2
10950-EP2289510A1
10950-EP2292589A1
10950-EP2295426A1
10950-EP2295427A1
10950-EP2305685A1
10950-EP2305686A1
10950-EP2308960A1
10950-EP2311825A1
10950-EP2311841A1
10950-EP2316457A1
10950-EP2316458A1
10950-EP2316825A1
10950-EP2316826A1
10950-EP2316827A1
10950-EP2316828A1
15423-EP2301927A1
15423-EP2305683A1
15423-EP2311839A1
15423-EP2314589A1
15423-EP2316837A1
15423-EP2374780A1
15423-EP2374781A1
16143-EP2281563A1
16143-EP2308848A1
16143-EP2316459A1
93444-EP2298747A1
93444-EP2301922A1
93444-EP2305641A1
Butylene [UN1012] [Flammable gas]
1-Butene, >=99.0% (GC)
157439-EP2275417A2
157439-EP2284162A2
157439-EP2284163A2
157439-EP2374780A1
157439-EP2374781A1
186918-EP2270113A1
186918-EP2272935A1
186918-EP2374780A1
186918-EP2374781A1
217186-EP2374780A1
InChI=1/C4H8/c1-3-4-2/h3H,1,4H2,2H
Butene, polymer-bound, 50-100 mesh, extent of labeling: 1.0-2.0 mmol vinyl per g loading
IUPAC namebut-1-ene
SMILESCCC=C
InchiInChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3
FormulaC4H8
PubChem ID7844
Molweight56.108
LogP1.94
Atoms12
Bonds11
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes

mVOC Specific Details

Volatilization
The Henry's Law constant for 1- butene is 0.245 atm-cu m/mole(1). This Henry's Law constant indicates that 1- butene 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 45 minutes (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 days(SRC). 1-Butene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). 1-Butene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2250 mm Hg(3).
Literature: (1) Yaws CL; Thermodynamics and Physical Property Data, Houston, TX: Gulf Publ Co pp. 217 (1992) (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 NY, NY: Hemisphere Pub Corp 5 Vol (1989)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1-butene can be estimated to be 44(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-butene is expected to have very high mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
2.253X10+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.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Fragi 25Pn/an/a


2,4,4-trimethylpent-1-ene

Mass-Spectra

Compound Details

Synonymous names
Diisobutylene
FXNDIJDIPNCZQJ-UHFFFAOYSA-N
Diisobutylene, isomeric compounds
AC1L1PQI
1-Methyl-1-neopentylethylene
N69L73ADVF
UNII-N69L73ADVF
UN2050
ACMC-1C48W
NSC8701
CTK3J0451
NSC73942
CCRIS 9103
2,4,4-TRIMETHYLPENTENE
HSDB 1442
DTXSID4026765
Jsp000663
NSC-8701
OR010906
CHEMBL3186786
OR095127
OR208238
DSSTox_CID_6765
ZINC1648186
AN-17665
AN-22476
ANW-15788
TRA0097053
DSSTox_GSID_27851
DSSTox_GSID_26765
CJ-26606
NSC 73942
NSC-73942
2,4-Trimethyl-4-pentene
DSSTox_RID_78589
DSSTox_RID_78207
MFCD00008855
2,4-Trimethyl-1-pentene
LS-165873
LS-102078
KB-164529
RTR-001811
AI3-30049
TR-001811
J-001894
W-109188
AKOS015903731
2,4,4-trimethylpentene-1
DIISOBUTYLENE (MIXTURE OF ISOMERS) (STABILIZED WITH BHT)
FT-0624980
BRN 1098309
1-Pentene,4,4-trimethyl-
I14-17830
Tox21_202554
Tox21_200435
2,4,4-TRIMETHYL-1-PENTENE
107-39-1
2,2,4-Trimethyl-4-pentene
2,4,4 trimethyl-1-pentene
2,4,4-Trimethylpent-1-ene
Pentene, 2,4,4-trimethyl-
NCGC00166004-01
NCGC00166004-02
NCGC00257989-01
NCGC00260103-01
(tert-C4H9)CH2C(CH3)=CH2
CAS-107-39-1
EINECS 203-486-4
EINECS 246-690-9
25167-70-8
12002-23-2
1-Pentene,2,4,4-trimethyl-
Diisobutylene, isomeric compounds [UN2050] [Flammable liquid]
MolPort-001-787-090
CAS-25167-70-8
1-Pentene, 2,4,4-trimethyl-
Diisobutylene, isomeric compounds [UN2050] [Flammable liquid]
2,4,4-Trimethyl-1-pentene, 99%
2,4,4-Trimethyl-1-pentene, 96%
4-01-00-00892 (Beilstein Handbook Reference)
2,4,4-Trimethyl-1-pentene, 99% 25g
2,4,4-Trimethyl-1-pentene + 2,4,4-Trimethyl-2-pentene
InChI=1/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H
Diisobutylene, technical, >=90% (3 parts 2,4,4-trimethyl-1-pentene + 1 part 2,4,4-trimethyl-2-pentene, GC)
IUPAC name2,4,4-trimethylpent-1-ene
SMILESCC(=C)CC(C)(C)C
InchiInChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
FormulaH2C=C(CH3)CH2C(CH3)3
PubChem ID7868
Molweight112.216
LogP3.21
Atoms24
Bonds23
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes

mVOC Specific Details

Volatilization
The Henry's Law constant for 2,4,4-trimethyl-1-pentene is estimated as 0.746 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2,4,4-trimethyl-1-pentene 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 1.082 hr 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 4.2 days(SRC). 2,4,4-Trimethyl-1-pentene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 2,4,4-trimethyl-1-pentene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 44.7 mm Hg(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) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 2,4,4-trimethyl-1-pentene can be estimated to be about 275(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,4,4-trimethyl-1-pentene is expected to have moderate mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
44.7 mm Hg @ 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Fragi 25Pn/an/a


Cyclohexene

Mass-Spectra

Compound Details

Synonymous names
Benzenetetrahydride
Tetrahydrobenzene
Hexanaphthylene
Benzene tetrahydride
cyclohexen
CYCLOHEXENE
Cykloheksen
Zyklohexen
HGCIXCUEYOPUTN-UHFFFAOYSA-N
cyclohexane N
Cyclohexene, analytical standard
cyclo hexene
cyclo-hexene
1-Cyclohexene
2-cyclohexen
3-Cyclohexenyl radical
4-Cyclohexenyl radical
AC1Q1HIF
AC1L1Q7T
Benzene, tetrahydro-
Cyclohexane-1beta,2alpha-diyl
Cykloheksen [Polish]
ACMC-1BMJ1
Cyclohex-1-ene
(e)-cyclohexene
(Z)-Cyclohexene
KSC177C0F
7450AF
CHEMBL16396
UN2256
WLN: L6UTJ
12L0P8F7GN
CTK0H7102
NSC24835
1,3,4-Tetrahydrobenzene
CCRIS 8739
HSDB 1624
LTBB001107
UNII-12L0P8F7GN
DTXSID9038717
OR034362
OR109656
OR109667
OR279428
OR336968
STL445673
UN 2256
A802251
CHEBI:36404
AN-22626
ANW-16200
BP-31020
CJ-14477
LS-57377
NSC 24835
NSC-24835
TRA0075448
MFCD00001539
ZINC13950911
AI3-03146
RTR-002196
TR-002196
1,2,3,4-Tetrahydrobenzene
3,4,5,6-Tetrahydrobenzene
AKOS000119959
AKOS025243963
J-002481
S14-1475
BRN 0906737
FT-0624200
Cyclohexene, 99% 100ml
110-83-8
F0001-0225
Z1262252892
7493-04-1
Cyclohexene [UN2256] [Flammable liquid]
Cyclohexene, inhibitor-free, ReagentPlus(R), 99%
MCULE-3564016252
CYCLOHEXENE-D10, 98 ATOM % D
EINECS 203-807-8
15650-80-3
33004-06-7
Cyclohexene [UN2256] [Flammable liquid]
MolPort-001-779-794
12198-EP2269990A1
12198-EP2270010A1
12198-EP2272832A1
12198-EP2272972A1
12198-EP2272973A1
12198-EP2275403A1
12198-EP2277872A1
12198-EP2280009A1
12198-EP2281817A1
12198-EP2281818A1
12198-EP2284148A1
12198-EP2284149A1
12198-EP2284165A1
12198-EP2287155A1
12198-EP2292611A1
12198-EP2295429A1
12198-EP2295503A1
12198-EP2298731A1
12198-EP2298732A1
12198-EP2298767A1
12198-EP2301913A1
12198-EP2301914A1
12198-EP2301983A1
12198-EP2302015A1
12198-EP2305627A1
12198-EP2305641A1
12198-EP2305672A1
12198-EP2305683A1
12198-EP2305808A1
12198-EP2305825A1
12198-EP2308510A1
12198-EP2308562A2
12198-EP2308812A2
12198-EP2308839A1
12198-EP2308840A1
12198-EP2308865A1
12198-EP2308877A1
12198-EP2311796A1
12198-EP2311797A1
12198-EP2311798A1
12198-EP2311799A1
12198-EP2311839A1
12198-EP2314583A1
12198-EP2314587A1
12198-EP2314589A1
12198-EP2315303A1
12198-EP2316837A1
12198-EP2316974A1
12198-EP2371811A2
12198-EP2380568A1
77950-EP2272846A1
77950-EP2275408A1
77950-EP2287158A1
77950-EP2308866A1
Cyclohexene, contains 100 ppm BHT as inhibitor, >=99.0%
4-05-00-00218 (Beilstein Handbook Reference)
InChI=1/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H
IUPAC namecyclohexene
SMILESC1CCC=CC1
InchiInChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
FormulaC6H10
PubChem ID8079
Molweight82.146
LogP2.31
Atoms16
Bonds16
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes alkanes

mVOC Specific Details

Volatilization
The Henry's Law constant for cyclohexene is 4.55X10-2 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that cyclohexene 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 1 hour(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 days(SRC). Cyclohexene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Cyclohexene is expected to volatilize from dry soil surfaces(SRC) based upon a an extrapolated vapor pressure of 89 mm Hg(3).
Literature: (1) Hine J, Mookerjee PK; J Org Chem 40: 292-8 (1975) (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 & Thermodynamic Properties of Pure Chemicals NY: Hemisphere Pub Corp (1989)
Soil Adsorption
The Koc of cyclohexene is estimated as 850 (SRC), using a log Kow of 2.86(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that cyclohexene is expected to have low mobility in soil(SRC).
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. 23 (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)
Vapor Pressure
PressureReference
89.0 mm Hg at 25 deg C (est)Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStenotrophomonas MaltophiliaReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaSerratia Marcescensn/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/an/a


Dodec-1-ene

Mass-Spectra

Compound Details

Synonymous names
Dodecylene
4-BROMOCYCLOPROPYLBENZENE
DODECENE
CRSBERNSMYQZNG-UHFFFAOYSA-N
alpha-Dodecylene
alpha-Dodecene
n-dodecene
Tetrapropylene (petroleum)
AC1L1QGA
1-DODECENE
Dodecene-1
AC1Q2VZ5
.alpha.-Dodecylene
Adacene 12
ACMC-1C7KA
Neodene 12
Propene, polymers, tetramer
1-Dodecene, analytical standard
WYE669F3GR
Dodec-1-ene
KSC178G4F
.alpha.-Dodecene
2179AA
UNII-WYE669F3GR
S0342
D0974
CTK0H8342
OR01836
Dodecylene .alpha.-
NSC12016
HSDB 1076
HSDB 2793
1-Dodecene (standard material)
n-Dodec-1-ene
Jsp000958
LP082389
SBB059886
DTXSID5026914
CHEMBL1872885
AK113380
A802575
ZINC1718715
CHEBI:89713
DSSTox_CID_6914
NSC 12016
AN-22699
ANW-16466
KB-12052
AX8058146
LS-63547
BB0294653
NSC-12016
ST2419266
TRA0079135
CC-04450
DSSTox_GSID_26914
ZX-AT017312
MFCD00008961
1-Dodecene, 95%
LMFA11000313
DSSTox_RID_78251
C-28176
DB-041090
TR-002429
ST51046150
RTR-002429
ACM25378227
J-002769
AKOS015904161
FT-0689748
FT-0607712
I14-17882
Tox21_303303
Tox21_201382
112-41-4
10004-001i
NCGC00258933-01
MCULE-4843306057
NCGC00164290-01
NCGC00164290-02
NCGC00257096-01
EINECS 246-922-9
EINECS 271-215-7
EINECS 203-968-4
CAS-112-41-4
25378-22-7
1-Dodecene, technical, >=90% (GC)
1-Dodecene, 96% 100g
MolPort-001-756-625
1-Dodecene, >=99.0% (GC)
IUPAC namedodec-1-ene
SMILESCCCCCCCCCCC=C
InchiInChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3
FormulaC12H24
PubChem ID8183
Molweight168.324
LogP5.49
Atoms36
Bonds35
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes

mVOC Specific Details

Volatilization
The Henry's Law constant for 1-dodecene is estimated as 4.25 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1-dodecene is expected to volatilize rapidly from moist soil and 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 1.324 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 120 hours(SRC). However, the volatilization half-life does not take into account the effects of adsorption. An estimated Koc of 5900 (SRC), from a log Kow of 6.10 (SRC) and a regression-derived equation (3), suggests that volatilization could be attenuated by adsorption to suspended solids and sediments in water (SRC). This is apparent from the results of two EXAMS model runs, one in which the effect of adsorption was considered, yielding an estimated half-life of 39 days in a model pond 2 m deep, and one in which the effect of adsorption was ignored, yielding an estimated half-life of 45 hr in a model pond 2 m deep (4). 1-Dodecene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces will occur(SRC). The potential for volatilization of 1-dodecene from dry soil surfaces is not expected(SRC) based upon an estimated vapor pressure of 0.0159 mm Hg 25 deg C(SRC).
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 et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (4) USEPA; EXAMS II Computer Simulation (1987)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1-dodecene can be estimated to be 5900(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-dodecene is expected to be immobile in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.0159 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.
1 MM HG @ 47.2 DEG CSax, N.I. Dangerous Properties of Industrial Materials. 4th ed. New York: Van Nostrand Reinhold, 1975., p. 709
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Fluorescens R76narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Veronii R02narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Vranovensis R01narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Fluorescens R76LB mediumGC/MSYes
BacteriaPseudomonas Veronii R02LB mediumGC/MSYes
BacteriaPseudomonas Vranovensis R01LB mediumGC/MSYes
BacteriaPseudomonas Fragi 25Pn/an/a


Undec-10-enal

Mass-Spectra

Compound Details

Synonymous names
Undecylenaldehyde
Hendecenal
Undecylene aldehyde
Undecylenic aldehyde
OFHHDSQXFXLTKC-UHFFFAOYSA-N
n-Undecylenic aldehyde
10-Undecylenealdehyde
AC1L1QGM
ACMC-1BPGU
aldehyde C11 undecylenic
10-Undecylenic aldehyde
DU1OTA08RY
10-Hendecenal
10-Undecenyl aldehyde
10-Undecenal
UNII-DU1OTA08RY
Undecylenic aldehyde, 95%
UNII-F851M0LYFD component OFHHDSQXFXLTKC-UHFFFAOYSA-N
KSC180C9N
U220
Undec-10-enal
CTK0I0196
U0011
SCHEMBL107549
NSC44900
WLN: VH9U1
C-11 aldehyde, undecylenic
Aldehyde C-11, undecylenic
CHEMBL3185269
LS-3144
LP003049
DTXSID3037757
Undec-10-en-al
ZINC1677096
DSSTox_GSID_37757
AN-22703
ANW-16474
TRA0057087
CC-03733
NSC-44900
NSC 44900
CJ-06209
CJ-27413
KB-64798
LMFA06000067
1-Undecen-10-al
ZINC01677096
10-UNDECEN-1-AL
10-Undecen-1-yl aldehyde
DSSTox_RID_79378
C-30900
DSSTox_CID_17757
MFCD00007032
CHEBI:125536
DB-041093
RTR-002437
AI3-03940
ST50824944
TR-002437
J-002781
AKOS015902232
FT-0607200
FEMA No. 3095
BRN 1746480
I14-13647
undec-10-en-1-al
Tox21_302293
n-UNDECYLENIC ALDEHYDE (10-1)
112-45-8
NCGC00164054-01
NCGC00255582-01
EINECS 203-973-1
CAS-112-45-8
10-Undecenal, >=95%, FG, stabilized
MolPort-001-784-299
4-01-00-03520 (Beilstein Handbook Reference)
BRD-K33235400-001-01-2
IUPAC nameundec-10-enal
SMILESC=CCCCCCCCCC=O
InchiInChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2
FormulaC11H20O
PubChem ID8187
Molweight168.28
LogP3.57
Atoms32
Bonds31
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationAlkenes Aldehydes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Fragi 25Pn/an/a


Prop-1-ene

Mass-Spectra

Compound Details

Synonymous names
Methylethylene
Methylethene
Propene,ammoxidized,by-productsfrom
PROPYLENE
QQONPFPTGQHPMA-UHFFFAOYSA-N
Propene
Polypropylene, isotatic
1-methylethylene
2-methylethylene
n-propylene
AC1L1QLA
AC1Q2CAM
CH3CH=CH2
propylene, various grades
1-Propylene
ACMC-1BBRS
1-Propene
1-Propene,ammoxidized,by-productsfrom,thermal-cracked
Polipropene 25
Propene, pure
Hydrocarbons, C3
1-Propene, homopolymer
AUG1H506LY
CH2=CH-CH3
Propylene see also Petroleum gases, liquefied
Propylene, >=99%
prop-1-ene
UN1077
UNII-AUG1H506LY
2,2-propylene
c0067
CTK0H6486
HSDB 175
Propene, ammoxidized, by-products from
1-Propene, homopolymer, isotactic
CHEMBL117213
LS-571
RL00588
C11505
CCRIS 1356
DTXSID5021205
OR079717
OR116117
OR205597
OR225679
OR238733
propan-1,2-diyl
propane-1,2-diyl
UN 1077
CHEBI:16052
ETHENYL, 1-METHYL-
NCI-C50077
R 1270
R-1270
MFCD00084447
TC-165351
AKOS009156831
FT-0632493
115-07-1
676-63-1
EINECS 204-062-1
EINECS 292-050-7
25085-53-4
33004-01-2
90530-12-4
97102-85-7
8241-EP2316824A1
Propylene, 99.5%, Messer(R) CANGas
10949-EP2269610A2
10949-EP2270010A1
10949-EP2270113A1
10949-EP2272822A1
10949-EP2272935A1
10949-EP2272972A1
10949-EP2272973A1
10949-EP2275413A1
10949-EP2275417A2
10949-EP2275420A1
10949-EP2277848A1
10949-EP2277867A2
10949-EP2277872A1
10949-EP2277945A1
10949-EP2280003A2
10949-EP2281823A2
10949-EP2284162A2
10949-EP2284163A2
10949-EP2286812A1
10949-EP2287156A1
10949-EP2289510A1
10949-EP2289868A1
10949-EP2289876A1
10949-EP2289890A1
10949-EP2292589A1
10949-EP2292593A2
10949-EP2292597A1
10949-EP2292604A2
10949-EP2295399A2
10949-EP2295407A1
10949-EP2295414A1
10949-EP2298736A1
10949-EP2298743A1
10949-EP2298744A2
10949-EP2298747A1
10949-EP2298770A1
10949-EP2298778A1
10949-EP2298828A1
10949-EP2299326A1
10949-EP2301922A1
10949-EP2301937A1
10949-EP2305641A1
10949-EP2305642A2
10949-EP2305653A1
10949-EP2305654A1
10949-EP2305662A1
10949-EP2305683A1
10949-EP2308510A1
10949-EP2308828A2
10949-EP2308843A1
10949-EP2308862A1
10949-EP2308877A1
10949-EP2311815A1
10949-EP2311824A1
10949-EP2311839A1
10949-EP2314579A1
10949-EP2314584A1
10949-EP2314589A1
10949-EP2316457A1
10949-EP2316458A1
10949-EP2316825A1
10949-EP2316826A1
10949-EP2316827A1
10949-EP2316828A1
10949-EP2316837A1
10949-EP2370380A2
10949-EP2371810A1
10949-EP2372017A1
10949-EP2374780A1
10949-EP2374781A1
10949-EP2374788A1
10949-EP2377842A1
10949-EP2380661A2
10949-EP2380867A1
16128-EP2281563A1
16128-EP2308848A1
16128-EP2316459A1
17194-EP2272835A1
17194-EP2272843A1
17194-EP2272844A1
17194-EP2281817A1
17194-EP2314586A1
27387-EP2275412A1
27387-EP2275420A1
27387-EP2292589A1
27387-EP2295414A1
27387-EP2295416A2
27387-EP2295426A1
27387-EP2295427A1
27387-EP2298748A2
27387-EP2298767A1
27387-EP2305685A1
27387-EP2305686A1
27387-EP2308960A1
27387-EP2311825A1
27387-EP2311841A1
27387-EP2314587A1
92645-EP2277881A1
92645-EP2289518A1
92645-EP2292231A1
92645-EP2305653A1
92645-EP2305654A1
92646-EP2292231A1
92646-EP2305653A1
100787-EP2301927A1
100787-EP2374780A1
147432-EP2289891A2
147432-EP2292589A1
Polypropylene sheet, 12.7mm (0.5in) thick
Propylene see also Petroleum gases, liquefied [UN1077] [Flammable gas]
Polypropylene sheet, 1.6mm (0.063in) thick
Polypropylene sheet, 6.36mm (0.25in) thick
Polypropylene sheet, 3.18mm (0.125mm) thick
Propylene see also Petroleum gases, liquefied [UN1077] [Flammable gas]
InChI=1/C3H6/c1-3-2/h3H,1H2,2H
IUPAC nameprop-1-ene
SMILESCC=C
InchiInChI=1S/C3H6/c1-3-2/h3H,1H2,2H3
FormulaC3H6
PubChem ID8252
Molweight42.081
LogP1.49
Atoms9
Bonds8
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkenes

mVOC Specific Details

Volatilization
The experimental Henry's Law constant for propylene is 1.96X10-1 atm-cu m/mole(1). This Henry's Law constant indicates that propylene 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)(3) is estimated as 0.7 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 days(SRC). Propylene's measured Henry's Law constant indicates that volatilization from moist soil surfaces will occur(SRC). The potential for volatilization of propylene from dry soil surfaces exists based upon a vapor pressure of 8690 mm Hg(3).
Literature: (1) Wasik SP, Tsang W; J Phys Chem 74: 2970-76 (1970) (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 propylene is estimated as 220(SRC), using a log Kow of 1.77(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that propylene is expected to have moderate 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. 6 (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)
Vapor Pressure
PressureReference
8.69X10+3 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.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiPenicillium Digitatumn/aStotzky and Schenk, 1976
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiPenicillium Digitatumn/an/a


1-methoxy-4-prop-2-enylbenzene

Mass-Spectra

Compound Details

Synonymous names
Methylchavicol
p-Allylmethoxybenzene
p-Methoxyallylbenzene
chavicol methylether
chavicyl methylether
Isoanethole
Esdragol
Esdragole
Esdragon
Esteragol
Estragol
Estragole
para-allylanisole
Tarragon
Terragon
ZFMSMUAANRJZFM-UHFFFAOYSA-N
4-Allylmethoxybenzene
4-Methoxyallylbenzene
Methyl chavicol
Methyl chavicole
estragon;p-allylanisole
p-Allylanisole
Chavicol methyl ether
Chavicyl methyl ether
Estragole, analytical standard
4-Allylanisole
4-allylanisol
AC1Q4CFH
p-Allylphenyl methyl ether
4-Allylanisole, analytical standard
Chavicyl methyl ether
isoanethole, 4-Allylanisole
AC1L1RR7
AC1Q4FE9
Estragole (natural)
9NIW07V3ET
Chavicol, methyl-
Ether, p-allylphenyl methyl
O080
1-Allyl-4-methoxybenzene
4-Allyl-1-methoxybenzene
ACMC-1BW75
SCHEMBL57204
UNII-9NIW07V3ET
3-(p-Methoxyphenyl)propene
A0702
CTK7A3557
Allylphenyl methyl ether, p-
Chavicol, O-methyl-
CHEMBL470671
LS-821
Anisole, p-allyl-
C10452
CCRIS 1317
CHEBI:4867
DSSTox_CID_575
HMS2268E24
HSDB 5412
SPECTRUM1505117
ZINC967635
1-allyl-4-methoxy-benzene
AK109291
DTXSID0020575
FEMA Number 2411
NSC404113
OR023175
OR145974
OR218549
ZB015470
4-Allylanisole, 98%
NCI-C60946
AJ-24538
AN-17349
ANW-20580
DSSTox_GSID_20575
KB-36193
DSSTox_RID_75667
MFCD00008653
ZINC00967635
1-methoxy-4-prop-2-enylbenzene
AI3-16052
CCG-214642
NSC 404113
NSC-404113
ST50824126
TC-109325
WLN: 1U2R DO1
AKOS000121300
BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL
EPA Pesticide Chemical Code 062150
J-007415
4-Allylanisole, >=98%, FCC
BRN 1099454
FEMA No. 2411
FT-0617414
MLS001065575
p-allylanisole, 4-allyl-1-methoxybenzene, methyl chavicol
SMR000112379
I01-10181
1-METHOXY-4-(2-PROPENYL)BENZENE
Tox21_202387
Tox21_302930
140-67-0
3-(4-Methoxyphenyl)-1-propene
1407-27-8
NCGC00091434-01
NCGC00091434-02
NCGC00091434-03
NCGC00256481-01
NCGC00259936-01
1-methoxy-4-(2-propenyl)-benzene
CAS-140-67-0
EINECS 205-427-8
77525-18-9
Benzene, 1-methoxy, 4-prop-2-enyl
MolPort-000-156-967
1-Methoxy-4-(2-propen-1-yl)benzene
Benzene, 1-methoxy-4-(2-propenyl)-
1-methoxy-4-(prop-2-en-1-yl)benzene
4-Allylanisole, purum, >=97.0% (GC)
4-06-00-03817 (Beilstein Handbook Reference)
Benzene, 1-methoxy-4-(2-propen-1-yl)-
InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H
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
Molweight148.205
LogP2.91
Atoms23
Bonds23
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationBenzenoids Alkenes Ethers

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiPenicillium Sp.n/aBjurman et al., 1997
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiPenicillium Sp.n/an/a
FungiGanoderma LucidumnaGC/MSNo


4-methylpent-3-en-2-one

Mass-Spectra

Compound Details

Synonymous names
Isopropylideneacetone
Isopropylidene acetone
Mesityloxyde
Mesityloxid
SHOJXDKTYKFBRD-UHFFFAOYSA-N
Isobutenyl methyl ketone
Methyl isobutenyl ketone
MESITYL OXIDE
Mesityl Oxide, pharmaceutical secondary standard
Ossido di mesitile
Oxyde de mesityle
Acetone, isopropylidene-
ACMC-1BOEP
AC1L1RU7
AC1Q1JB3
Mesityloxid [German]
Mesityloxyde [Dutch]
KSC494O1D
7471AF
UN1229
2,2-Dimethylvinyl methyl ketone
CTK3J4711
M0069
M1340
Methyl 2,2-dimethylvinyl ketone
NSC38717
Ossido di mesitile [Italian]
RP18648
HSDB 1195
Mesityl oxide, European Pharmacopoeia (EP) Reference Standard
Oxyde de mesityle [French]
3-Isohexen-2-one
BBL027732
CHEMBL3185916
DTXSID1029170
FEMA Number 3368
Jsp002461
LS-2950
Methyl 2-methyl-1-propenyl ketone
OR034477
OR219303
SBB040870
STL146350
UN 1229
A807813
CHEBI:89993
DSSTox_CID_9170
77LAC84669
AN-43889
ANW-41508
CJ-07569
CJ-32144
DSSTox_GSID_29170
KB-78313
NSC 38717
NSC-38717
SC-47106
TRA0020647
BB_NC-2260
Caswell No. 547
DSSTox_RID_78697
LMFA12000030
MFCD00008900
ZINC02038441
2-Methyl-2-pentenone-4
AI3-07702
Mesityl oxide, technical grade, 90%
RTR-005373
TR-005373
UNII-77LAC84669
AKOS000118892
EPA Pesticide Chemical Code 052401
Mesityl oxide, mixture of alpha- and beta-isomers
Q-201356
S14-1428
ZINC100019800
(CH3)2C=CHC(=O)CH3
BRN 1361550
FEMA No. 3368
FT-0628235
2-Methyl-4-oxo-2-pentene
4-Methyl-3-pentene-2-one
2-Methyl-2-penten-4-one
2-methylpent-2-en-4-one
4-Methyl-3-penten-2-on
4-Methyl-3-penten-2-one
4-Methylpent-3-en-2-one
4-Metil-3-penten-2-one
Tox21_202080
Tox21_303606
141-79-7
4-Methyl-3-penten-2-one, analytical reference material
WLN: 1Y1 & U1V1
MCULE-4922478422
NCGC00249161-01
NCGC00257514-01
NCGC00259629-01
3-Penten-2-one,4-methyl-
4-methyl-pent-3-en-2-one
CAS-141-79-7
EINECS 205-502-5
3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE
Mesityl oxide [UN1229] [Flammable liquid]
3-Penten-2-one, 4-methyl-
MolPort-000-872-030
4-Methyl-3-penten-2-one, 9CI
4-Metil-3-penten-2-one [Italian]
Mesityl oxide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~98%
4-Methyl-3-penten-2-on(DUTCH, GERMAN)
4-Methyl-3-penten-2-one, 90%
Mesityl oxide [UN1229] [Flammable liquid]
4-Methyl-3-penten-2-on [Dutch, German]
Mesityl oxide, technical, 90%, remainder 4-methyl-4-penten-2-one 100ml
InChI=1/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H
IUPAC name4-methylpent-3-en-2-one
SMILESCC(=CC(=O)C)C
InchiInChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
Formula(CH3)2C=CH-COCH3
PubChem ID8858
Molweight98.145
LogP1.49
Atoms17
Bonds16
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones Alkenes Ketone

mVOC Specific Details

Volatilization
The Henry's Law constant for mesityl oxide is estimated as 3.67X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 8.21 mm Hg(1), and water solubility, 28,900 mg/L(2). This Henry's Law constant indicates that mesityl oxide 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 17 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 11 days(SRC). Mesityl oxide's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of mesityl oxide from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner DP; Physical & Thermodynamic Properties of Pure Chemicals Vol. 3 NY: Hemisphere Pub Corp (1989) (2) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 285 (2003) (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 mesityl oxide is estimated as 15(SRC), using a water solubility of 28,900 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that mesityl oxide is expected to have very high mobility in soil.
Literature: (1) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 285 (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
8.21 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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Pratensis TER91narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaKlebsiella Pneumoniae ATCC 13883Rees et al. 2017
BacteriaStreptomyces Citreusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Pratensis TER91sand containing artificial root exudatesGC/MSNo
BacteriaCollimonas Pratensis Ter91Headspace trapping/GC-MS
BacteriaKlebsiella Pneumoniae ATCC 13883LBSPME / GCxGC-TOFMSno
BacteriaStreptomyces Citreusn/an/a


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

Compound Details

Synonymous names
NEROLIDOL
FQTLCLSUCSAZDY-UHFFFAOYSA-N
Stirrup
dextro-nerolidol
AC1L1RVY
ACMC-1BP9D
KSC175G6D
(Z)-Nerolidol
CTK0H5361
CHEMBL3182436
DTXSID3022247
(+)-Nerolidol
SpecPlus_000303
Spectrum_001222
DSSTox_CID_2247
DSSTox_GSID_22247
KBioGR_002080
KBioSS_001702
AN-19344
4CN-2161
DSSTox_RID_76528
Spectrum2_001507
Spectrum3_001539
Spectrum4_001720
SPBio_001553
KBio2_006838
KBio3_002458
KBio2_004270
KBio2_001702
KBio1_001343
DivK1c_006399
Tox21_301382
142-50-7
7212-44-4
MCULE-1929267041
NCGC00255198-01
NCGC00344526-01
CAS-7212-44-4
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6E)-
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6Z)-
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
Molweight222.372
LogP4.31
Atoms42
Bonds41
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols Alkenes terpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011n/aZhang et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011Minimal mediaSPME/GC-MS


3,7-dimethyloct-6-enyl Acetate

Mass-Spectra

Compound Details

Synonymous names
Citronellyl ethanoate
Citronellol acetate
CitronellyI acetate
Citronellyl acetate
Cephreine
Citronellyl Extra
JOZKFWLRHCDGJA-UHFFFAOYSA-N
beta-citronellol acetate
beta-Citronellyl acetate
Acetic acid citronellyl
Citronellyl acetate, analytical standard
b-citronellyl acetate
Natural rhodinol, acetylated
Acetic acid, citronellyl ester
Ctronellyl acetate (natural)
AC1L1S4Y
.beta.-Citronellyl acetate
ACMC-1B6AI
KSC204E3B
AC1Q66K6
7556AA
NSC4893
CTK1A4230
.beta.-Citronellol, acetate
SCHEMBL157075
C12298
DTXSID5051739
AK114232
CHEMBL1453648
NSC-4893
NSC 4893
LS-2636
LP002951
Jsp002879
CHEBI:70478
WLN: 1Y1&U3Y1&WOV1
AN-23316
ANW-21300
BDBM50037054
C-58177
MFCD00015039
3,7-dimethyloct-6-enyl acetate
3,7-Dimethyl-6-octenyl acetate
KB-234376
RTR-006170
ST24028242
ST50410142
TR-006170
AI3-02039
Q-200868
I14-1181
AKOS015899521
FT-0623967
FEMA No. 2981
FEMA No. 2311
BRN 1723886
LMPR0102010015
Citronellyl acetate, >=95%, FCC, FG
acetic acid 3,7-dimethyl-6-octenyl ester
150-84-5
3,7-dimethyl-6-octen-1yl acetate
1-Acetoxy-3,7-dimethyloct-6-ene
NCGC00095623-01
MCULE-2538735041
Acetic acid,7-dimethyl-6-octen-1-yl ester
EINECS 266-837-0
EINECS 205-775-0
67650-82-2
3,7-Dimethyl-6-octen-1-yl ethanoate
67601-05-2
Citronellyl acetate, mixture of isomers, natural, >=95%, FG
3,7-Dimethyl-6-octen-1-ol acetate
3,7-Dimethyl-6-octen-1-yl acetate
3,7-Dimethyloct-6-en-1-yl acetate
2-Octen-8-ol,6-dimethyl-, acetate
6-Octen-1-ol,7-dimethyl-, acetate
(1)-3,7-Dimethyloct-6-enyl acetate
Acetic acid, 3,7-dimethyl-6-octen-1-yl ester
6-Octen-l-ol, 3,7-dimethyl-, acetate
2-Octen-8-ol, 2,6-dimethyl-, acetate
6-Octen-1-ol, 3,7-dimethyl-, acetate
1-02-00-00065 (Beilstein Handbook Reference)
6-Octen-1-ol, 3,7-dimethyl-, 1-acetate
6-Octen-1-ol, 3,7-dimethyl-, acetate, (3S)-
6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3S)-
IUPAC name3,7-dimethyloct-6-enyl acetate
SMILESCC(CCC=C(C)C)CCOC(=O)C
InchiInChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
FormulaC12H22O2
PubChem ID9017
Molweight198.306
LogP3.19
Atoms36
Bonds35
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes Alkenes Esters

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a