Results for:
PubChem ID: 5281167

(Z)-hex-3-en-1-ol

Mass-Spectra

Compound Details

Synonymous names
cis-3-Hexen-1-ol
928-96-1
(Z)-Hex-3-en-1-ol
Leaf alcohol
cis-3-Hexenol
(Z)-3-Hexen-1-ol
Blatteralkohol
3-Hexenol
Z-3-Hexenol
3-Hexen-1-ol, (Z)-
(3Z)-hex-3-en-1-ol
3-Hexen-1-ol, cis-
cis-Hex-3-en-1-ol
3-Hexen-1-ol, (3Z)-
3-Hexen-1-ol
beta-gamma-Hexenol
3-Hexenol, cis-
cis-3-Hexene-1-ol
3Z-hexenol
cis-3-Hexenol (natural)
3-(Z)-Hexenol
FEMA No. 2563
(3Z)-3-Hexen-1-ol
(Z)-3-HEXENOL
.beta.,.gamma.-Hexenol
HEXEN-30L-1
DTXSID6022137
CHEBI:28857
V14F8G75P4
MFCD00063217
NSC-74451
(3e)-hexenol
(e)-3-hexenol
EINECS 213-192-8
NSC 74451
BRN 1719712
UNII-V14F8G75P4
cis-3-Hexen-1-ol, 98%
AI3-34793
cis-Hex-3-enol
BLAETTERALKOHOL
cis-Hex-3-en-1ol
(Z)Hex-3-enol
FOLIC ALCOHOL
Hex-3(Z)-enol
c-3-Hexen-1-ol
(Z)-hex-3-en-ol
Blatteralkohol (German)
3-(z)-hexen-1-ol
(Z)-3-hexenyl alcohol
cis-1-hydroxy-3-hexene
GREEN LEAF ALCOHOL
bmse000369
3-HEXENOL [INCI]
EC 213-192-8
(Z)-Hex-3-ene-1-ol
Hex-3( Z)-en-1-ol
4-01-00-02141 (Beilstein Handbook Reference)
SCHEMBL112920
(3 Z)-hex-3-en-1-ol
DTXCID102137
WLN: Q3U3 -C
(3Z)-3-Hexen-1-ol #
CHEMBL2251452
(Z)-3-HEXENOL [FCC]
3-HEXEN-1-OL [FHFI]
HSDB 8267
BCP29150
LEAF ALCOHOL:cis-3-Hexen-1-ol
NSC74451
Tox21_301011
ENT 25091
LMFA05000059
AKOS015838970
cis-3-Hexen-1-ol, analytical standard
CS-W011323
HY-W010607
NCGC00248252-01
NCGC00254913-01
BS-22349
CAS-928-96-1
cis-3-Hexen-1-ol, >=98%, FCC, FG
cis-3-HEXEN-1-OL (LEAF ALCOHOL) FCC
H0124
NS00006775
S6059
C08492
EN300-304059
cis-3-Hexen-1-ol, natural, >98%, FCC, FG
Q300850
J-640467
J-800474
Z2767432055
(3Z)-3-Hexen-1-ol ; (z)-3-hexen-1-o;3-Hexen-1-ol;Cis-3-Hexenol
Microorganism:

Yes

IUPAC name(Z)-hex-3-en-1-ol
SMILESCCC=CCCO
InchiInChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-
FormulaC6H12O
PubChem ID5281167
Molweight100.16
LogP1.3
Atoms7
Bonds3
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID28857
Supernatural-IDSN0369004-01

mVOC Specific Details

Boiling Point
DegreeReference
156-157 deg CO'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 869
Volatilization
The Henry's Law constant for cis-3-hexen-1-ol is estimated as 1.6X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that cis-3-hexen-1-ol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2.5 days 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 21 days(SRC). cis-3-Hexen-1-ol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). cis-3-Hexen-1-ol is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.94 mm Hg at 25 deg C(SRC), determined from a fragment constant method(1).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Jul 7, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Solubility
In water, 16,000 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of July 7, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Literature: #Very soluble in ethanol and ether
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-300
Literature: #Soluble in alcohol, propylene glycol, fixed oils
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. 2388
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of cis-3-hexen-1-ol can be estimated to be 12(SRC). According to a classification scheme(2), this estimated Koc value suggests that cis-3-hexen-1-ol is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Jul 7, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.94 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of July 7, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
EukaryotaAspergillus Flavusn/aNABeck et al. 2012
EukaryotaAspergillus Parasiticusn/aNABeck et al. 2012
EukaryotaAspergillus Nigern/aNABeck et al. 2012
EukaryotaPenicillium Glabrumn/aNABeck et al. 2012
EukaryotaRhizopus Stolonifern/aNABeck et al. 2012
EukaryotaSaccharomyces CerevisiaeNANALjunggren et al. 2019
EukaryotaMetschnikowia FructicolaNANALjunggren et al. 2019
EukaryotaSaccharomyces CerevisiaeNANAGe et al. 2021
ProkaryotaLactobacillus PlantarumZhang et al. 2023
EukaryotaCyberlindnera FabianiiMa et al. 2023
ProkaryotaLactobacillus PlantarumMa et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Sp.LB media, DYGS mediaHS-SPME/GC-MSno
EukaryotaAspergillus Flavuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Parasiticuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Nigerpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaPenicillium Glabrumpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaRhizopus Stoloniferpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaSaccharomyces Cerevisiaeliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Fructicolaliquid YPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaegrape juiceLC-15C HPLCno
ProkaryotaLactobacillus PlantarumHabanero pepperGC–IMSno
EukaryotaCyberlindnera Fabianiituna cooking liquidHS-SPME-GC/MSno
ProkaryotaLactobacillus Plantarumtuna cooking liquidHS-SPME-GC/MSno