Results for:
PubChem ID: 637566

(2E)-3,7-dimethylocta-2,6-dien-1-ol

Mass-Spectra

Compound Details

Synonymous names
GERANIOL
106-24-1
Geranyl alcohol
Lemonol
trans-Geraniol
(E)-3,7-Dimethylocta-2,6-dien-1-ol
(E)-Geraniol
(2E)-3,7-dimethylocta-2,6-dien-1-ol
(E)-Nerol
trans-3,7-Dimethyl-2,6-octadien-1-ol
Geraniol Extra
Geraniol alcohol
(E)-3,7-Dimethyl-2,6-octadien-1-ol
beta-Geraniol
t-geraniol
2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)-
3,7-Dimethyl-trans-2,6-octadien-1-ol
Guaniol
Geraniol (natural)
624-15-7
2-trans-3,7-Dimethyl-2,6-octadien-1-ol
3,7-Dimethyl-2,6-octadien-1-ol
2E-geraniol
(2E)-3,7-Dimethyl-2,6-octadien-1-ol
FEMA No. 2507
CHEBI:17447
2,6-Octadien-1-ol, 3,7-dimethyl-, (E)-
NSC 9279
NSC-9279
2,6-Dimethyl-2,6-octadien-8-ol
CCRIS 7243
HSDB 484
2,6-Octadien-1-ol, 3,7-dimethyl-
2,6-Octadien-1-ol, 3,7-dimethyl-, trans-
NSC9279
3,7-dimethylocta-2,6-dien-1-ol
Geraniol-D6
3,7-Dimethyl-2,6-octadien-1-ol, (E)-
EINECS 203-377-1
(2E)-geraniol
Citrol
UNII-L837108USY
BRN 1722456
trans-3,7-dimethyl-2,6-octadien-8-ol
DTXSID8026727
AI3-00206
L837108USY
MFCD00002917
2,6-Dimethyl-trans-2,6-octadien-8-ol
DTXCID406727
EC 203-377-1
4-01-00-02277 (Beilstein Handbook Reference)
Geraniol 1000 microg/mL in Isopropanol
trans-2,6-Dimethyl-2,6-octadien-8-ol
3,7-Dimethyl-(E)-2,6-Octadien-1-ol
2-trans-3,7-dimethyl-2,6-octadiene-1-ol
GERANIOL (MART.)
GERANIOL [MART.]
3,7-Dimethyl-2,6-octadienol
racemic Geraniol
CAS-106-24-1
66063-44-3
1-Octanol, 3,7-dimethyl-, tetradehydro deriv.
EPA Pesticide Chemical Code 597501
palmarosa
Meranol
kansho-shochu
Basil
b-Geraniol
.beta.-Geraniol
|A-Geraniol
Geraniol (E)
EINECS 210-831-2
EINECS 269-750-6
Geraniol, 98%
ROSE OIL
2,6-octadien-8-ol
GERANIOL [FHFI]
GERANIOL [HSDB]
GERANIOL [INCI]
GERANIOL [FCC]
GERANIOL [MI]
Spectrum5_001513
cis-3,6-octadien-1-ol
Epitope ID:181525
GERANIOL [WHO-DD]
trans-3,6-octadien-1-ol
3,7-Dimethyloctan-1-ol, tetradehydro derivative
SCHEMBL19824
SCHEMBL19826
BSPBio_002919
Geraniol, analytical standard
CHEMBL25719
SPECTRUM1501132
2, 3,7-dimethyl-, trans-
GTPL2467
2, 3,7-dimethyl-,(Z)-
CHEBI:24221
FEMA 2507
geraniol natural (ex citronella)
HMS500J15
NCI9279
2, 3,7-dimethyl-, (E)-
2, 3,7-dimethyl-, (Z)-
Geraniol, >=97%, FCC, FG
Geraniol, natural, >=97%, FG
HMS1921H17
HY-N6952
NSC46105
Tox21_110010
Tox21_202386
Tox21_300136
(E)-3,7-dimethyl-2,6-octadienol
BDBM50037023
CCG-37618
NCGC00013095
s5530
WLN: Q2UY1&3UY1&1 -T
AKOS009031393
Tox21_110010_1
DB14183
LMPR0102010016
(E)-3,7-dimethyl-2,6octadien-1-ol
IDI1_000193
USEPA/OPP Pesticide Code: 597501
3,7-dimethyl-octa-2trans,6-dien-1-ol
NCGC00013095-01
NCGC00013095-02
NCGC00013095-03
NCGC00013095-04
NCGC00013095-05
NCGC00013095-06
NCGC00013095-07
NCGC00013095-08
NCGC00013095-10
NCGC00094905-01
NCGC00094905-02
NCGC00094905-03
NCGC00094905-04
NCGC00094905-05
NCGC00253926-01
NCGC00259935-01
AS-12880
Geraniol, Vetec(TM) reagent grade, 97%
LS-13866
Octadien-1-ol, 3,7-dimethyl-, (E)-
(E)-3,7-dimethyl-octa-2,6-dien-1-ol
geraniol;2,6-dimethyl-2,6-octadien-8-ol
trans-3,7-Dimethy- octa-2,6-dien-1-ol
trans-3,7-Dimethyl octa-2,6-dien-1-ol
WLN: Q2UY1 & 3UY1 & 1-C
WLN: Q2UY1 & 3YU1 & 1-Z
3,7-Dimethyl-(2E)-2,6-Octadien-1-ol
2,6-Octadien-1-ol,3,7-Dimethyl-,(E)-
CS-0003478
G0027
NS00001866
(2E)-3,7-Dimethyl-2,6-octadien-1-ol #
EN300-19327
C01500
E80768
EN300-349311
Q410836
SR-05000002389
Q-201154
SR-05000002389-1
BRD-K03568070-001-01-1
Q27109834
Flavor and Extract Manufacturers' Association No. 2507
Z104473544
A884F9B1-42B7-4350-ACC7-8E71E86A9943
Microorganism:

Yes

IUPAC name(2E)-3,7-dimethylocta-2,6-dien-1-ol
SMILESCC(=CCCC(=CCO)C)C
InchiInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
FormulaC10H18O
PubChem ID637566
Molweight154.25
LogP2.9
Atoms11
Bonds4
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols terpenes
CHEBI-ID17447
Supernatural-IDSN0109301-01

mVOC Specific Details

Boiling Point
DegreeReference
230 °C peer reviewed
Volatilization
The Henry's Law constant for geraniol is estimated as 1.15X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 3.0X10-2 mm Hg(1), and water solubility, 100 mg/L(2). This Henry's Law constant indicates that geraniol 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 3 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 34 days(SRC). Geraniol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Geraniol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. 6th ed., New York, NY: McGraw-Hill (1984) (2) Chem Inspect Test Inst; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan; Published by Japan Chemical Industry Ecology-Toxicology & Information Center. ISBN 4-89074-101-1 (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of geraniol can be estimated to be 90(SRC). According to a classification scheme(2), this estimated Koc value suggests that geraniol is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 2, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
3.0X10-2 mm Hg at 25 deg C (est)Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. 6th ed., New York, NY: McGraw-Hill (1984)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaLactobacillus PlantarumNAYang et al. 2022
ProkaryotaStreptomyces Salmoniscontrol of postharvest anthracnose disease of chili caused by Colletotrichum gloeosporioides PSU-03Phitsanulok Seed Research and Development Center, Department of Agriculture, Ministry of Agriculture and Cooperatives, ThailanBoukaew et al. 2021
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
ProkaryotaStreptomyces Philanthiantifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4NABoukaew and Prasertsan 2020
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
ProkaryotaStreptomyces Citreusn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Caviscabiesn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
EukaryotaGloeophyllum OdoratumnaSachsenwald near HamburgRösecke et al. 2000
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaPichia AnomalaNANAMozūraitis et al. 2022
EukaryotaMeyerozyma GuilliermondiiNANAZhao et al. 2022
EukaryotaSaccharomycopsis ViniNANAZhao et al. 2022
EukaryotaSaturnispora DiversaNANAZhao et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLactobacillus Plantarumginkgo biloba kernel juicetriple quadrupole GC-MSno
ProkaryotaStreptomyces SalmonisGYM agarSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaStreptomyces Philanthisterile wheat seedsGC-MSno
ProkaryotaNannocystis Exedensn/an/ano
ProkaryotaStreptomyces Citreusn/an/ano
ProkaryotaStreptomyces Caviscabiesn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
EukaryotaGloeophyllum OdoratumnaGC/MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
EukaryotaCryptococcus WieringaeYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia AnomalaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaMeyerozyma Guilliermondiisynthetic grape juiceHS-SPMEno
EukaryotaSaccharomycopsis Vinisynthetic grape juiceHS-SPMEno
EukaryotaSaturnispora Diversasynthetic grape juiceHS-SPMEno