Results for:
PubChem ID: 637566

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

Mass-Spectra

Compound Details

Synonymous names
GERANIOL
GLZPCOQZEFWAFX-JXMROGBWSA-N
GLZPCOQZEFWAFX-UHFFFAOYSA-N
Neraniol
Geraniol alcohol
Geranyl alcohol
Guaniol
Lemonol
Meranol
racemic Geraniol
beta-Geraniol
Geraniol Extra
trans-Geraniol
AC1LCUHT
Geraniol, analytical standard
t-geraniol
AC1Q7BUA
2E-geraniol
Geraniol 98
Geraniol (natural)
.beta.-Geraniol
GTPL2467
CHEMBL25719
NCI9279
NSC9279
SCHEMBL19824
SCHEMBL19826
(E)-Geraniol
G0027
Geraniol (E)
Geraniol, 98%
HMS500J15
HSDB 484
(E)-Nerol
NSC46105
RP21876
C01500
CCRIS 7243
HMS1921H17
L837108USY
SPECTRUM1501132
AK109284
DTXSID8026727
Jsp000567
LP066354
LS-2765
LS-2977
NSC 9279
NSC-9279
SBB007719
A834344
CHEBI:17447
CHEBI:24221
DSSTox_CID_6727
UNII-L837108USY
ZINC1529210
AJ-26579
AN-22418
BSPBio_002919
CCG-37618
CJ-05167
DSSTox_GSID_26727
EBD2761143
FCH2256423
FCH3409296
FCH4510642
KB-52242
NSC-46105
SC-22671
SC-79539
BDBM50037023
DSSTox_RID_78202
MFCD00002917
NCGC00013095
Spectrum5_001513
ZINC01529210
AI3-00206
AI3-28202
RTR-001237
ST24026345
ST50824486
TR-001237
3,7-Dimethyloctan-1-ol, tetradehydro derivative
AKOS009031393
EPA Pesticide Chemical Code 597501
Epitope ID:181525
I14-6948
Q-201154
2,6-octadien-8-ol
3,6-octadien-1-ol
BRN 1722456
FEMA No. 2507
FEMA No. 2770
IDI1_000193
Geraniol, natural, >=97%, FG
I14-17819
LMPR0102010016
3,7-Dimethyl-2,6-octadienol
BBV-34551455
Tox21_110010
Tox21_202386
Tox21_300136
trans-3,6-octadien-1-ol
106-24-1
624-15-7
cis-3,6-octadien-1-ol
Geraniol, >=97%, FCC, FG
WLN: Q2UY1&3UY1&1 -T
8007-13-4
Geraniol, Vetec(TM) reagent grade, 97%
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
CAS-106-24-1
EINECS 203-377-1
EINECS 203-378-7
EINECS 210-831-2
EINECS 269-750-6
68311-14-8
SR-05000002389
Tox21_110010_1
MolPort-001-769-751
2,6-Dimethyl-2,6-octadien-8-ol
3,7-Dimethyl-2,6-octadien-1-ol
3,7-dimethylocta-2,6-dien-1-ol
1-Octanol, 3,7-dimethyl-, tetradehydro deriv.
3,7-dimethyl-trans-2,6-octadiene-1-ol
2,6-Dimethyl-trans-2,6-octadien-8-ol
3,7-Dimethyl-trans-2,6-octadien-1-ol
SR-05000002389-1
trans-2,6-Dimethyl-2,6-octadien-8-ol
trans-3,7-Dimethyl-2,6-octadien-1-ol
2, 3,7-dimethyl-, trans-
WLN: Q2UY1 & 3UY1 & 1-C
WLN: Q2UY1 & 3YU1 & 1-Z
trans-3,7-Dimethyl octa-2,6-dien-1-ol
2-trans-3,7-dimethyl-2,6-octadiene-1-ol
(E)-3,7-dimethyl-2,6octadien-1-ol
2-trans-3,7-Dimethyl-2,6-octadien-1-ol
2,6-Octadien-1-ol, 3,7-dimethyl-
2, 3,7-dimethyl-,(Z)-
4-01-00-02277 (Beilstein Handbook Reference)
(E)-3,7-Dimethyl-2,6-octadien-1-ol
(E)-3,7-Dimethylocta-2,6-dien-1-ol
2, 3,7-dimethyl-, (E)-
2, 3,7-dimethyl-, (Z)-
BRD-K03568070-001-01-1
(2E)-3,7-dimethyl-1-octa-2,6-dienol
(2E)-3,7-Dimethyl-2,6-octadien-1-ol
(2E)-3,7-dimethylocta-2,6-dien-1-ol
(E)-3,7-dimethyl-octa-2,6-dien-1-ol
Octadien-1-ol, 3,7-dimethyl-, (E)-
(2E)-3,7-Dimethyl-2,6-octadien-1-ol #
2,6-Octadien-1-ol, 3,7-dimethyl-, trans-
2,6-Octadien-1-ol,3,7-Dimethyl-,(E)-
3,7-Dimethyl-2,6-octadien-1-ol, (E)-
3,7-Dimethyl-2,6-octadien-1-ol, (Z)-
A884F9B1-42B7-4350-ACC7-8E71E86A9943
2,6-Octadien-1-ol, 3,7-dimethyl-, (E)-
2,6-OCTADIEN-1-OL; 3,7-DIMETHYL-; (E)-
2,6-Octadien-1-ol, 3,7-dimethyl-, (2E)-
InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7
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
Molweight154.253
LogP2.5
Atoms29
Bonds28
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationTerpenes Alkenes Alcohols

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Citreusn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
FungiGleophyllum OdoratumnaSachsenwald near HamburgRösecke et al., 2000
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Citreusn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
FungiGleophyllum OdoratumnaGC/MSNo