Results for:
PubChem ID: 1549026

[(2E)-3,7-dimethylocta-2,6-dienyl] Acetate

Compound Details

Synonymous names
GERANYL ACETATE
105-87-3
Geraniol acetate
Geranyl ethanoate
Acetic acid, geraniol ester
trans-3,7-Dimethyl-2,6-octadien-1-yl acetate
Geranyl acetate A
trans-Geraniol acetate
[(2E)-3,7-dimethylocta-2,6-dienyl] acetate
Acetic acid, geranyl ester
beta-Geranyl Acetate
NCI-C54728
trans-geranyl acetate
FEMA No. 2509
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-
CHEBI:5331
Meraneine
FEMA Number 2509
trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate
3,7-dimethylocta-2,6-dien-1-yl acetate
Geranyl acetate (natural)
NSC 2584
3,7-Dimethyl-2-trans, 6-octadienyl acetate
UNII-3W81YG7P9R
CCRIS 877
3W81YG7P9R
HSDB 586
DTXSID0020654
(2E)-geranyl acetate
2,6-Dimethyl-2,6-octadiene-8-yl acetate
16409-44-2
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-
NSC-2584
EINECS 203-341-5
Acetic acid geraniol ester
(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate
trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate
3,7-Dimethyloctyl acetate, tetradehydro derivative
BRN 1722815
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-
DTXCID80654
3,7-Dimethyl-2,6-octadien-1-ol acetate
AI3-00207
trans-3,7-Dimethyl-2,6-octadienyl acetate
68311-13-7
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate
(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate
EC 203-341-5
4-02-00-00204 (Beilstein Handbook Reference)
3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-
MFCD00015037
1-Octanol, 3,7-dimethyl-, acetate, tetradehydro deriv.
3,7-Dimethyl-2E,6-octadienyl acetate
Geranyl acetate, cis-
1-Octanol, 3,7-dimethyl-, 1-acetate, tetradehydro deriv.
3,7-Dimethyl-2,6-octadien-1-ylacetate
Geranyl acetate 100 microg/mL in Acetonitrile
(E)-3,7-Dimethyl-2,6-octadien-1-yl acetate
2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate
2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-
geranylacetat
3,7-Dimethyl-2,6-octadienyl acetate
CAS-105-87-3
Trans-3,7-dimethyl-2,6-octadien-1-yl ethanoate
acetyl geraniol
geranoil acetate
b-Geranyl Acetate
EINECS 269-749-0
Geranyl acetate, FCC
Nerol acetate (6CI)
starbld0004670
3, 6-octadienyl acetate
Geranyl acetate, >=97%
trans-3,7-dimethyl-2,6-octadien-1-ol acetate
SCHEMBL56913
SCHEMBL56914
8022-83-1
MLS002152904
GERANYL ACETATE [FCC]
GERANYL ACETATE [FHFI]
GERANYL ACETATE [HSDB]
GERANYL ACETATE [INCI]
Geranyl acetate, natural, FCC
CHEMBL1369384
CHEBI:88568
FEMA 2509
NSC2584
HMS2268G10
Geranyl acetate, mixture of isomers
HY-N7070
trans-3,6-octadien-1-ol, acetate
Geranyl acetate, analytical standard
Tox21_202089
Tox21_300355
WLN: 1Y & U3YU2OV1-T
BDBM50037025
LMFA07010189
s5091
2, 3,7-dimethyl-, acetate,(E)-
2, 3,7-dimethyl-, acetate, trans-
AKOS015837938
2, 3,7-dimethyl-, acetate, (E)-
CCG-266559
CS-W015698
NCGC00091394-01
NCGC00091394-02
NCGC00091394-03
NCGC00091394-04
NCGC00254482-01
NCGC00259638-01
1ST40220
33843-18-4
LS-14126
SMR000127400
(Z)-3,7-Dimethyl-2,6-octadienyl acetate
3,7-dimethyl-2-trans,6-octadienyl acetate
(2E)-3,7-Dimethyl-2,6-octadienyl acetate
3,7-Dimethyl-2,6-octadien-1-ylacetic acid
G0028
NS00003036
3,7-Dimethyl-acetate(E)-2,6-Octadien-1-ol
(2E)-3,7-Dimethyl-2,6-octadienyl acetate #
(E)-3,7-dimethyl-2,6-octadien-1-ol acetate
3,7-Dimethyl-acetate(2E)-2,6-Octadien-1-ol
3,7-Dimethyl-acetate(2Z)-2,6-Octadien-1-ol
3,7-Dimethyl-acetatetrans-2,6-Octadien-1-ol
C09861
cis-3,7-dimethyl-2,6-octadien-1-yl ethanoate
D70281
3,7-Dimethyl-1-acetate(2E)-2,6-Octadien-1-ol
3,7-Dimethyl-1-acetate(2Z)-2,6-Octadien-1-ol
Q426437
3,7-DIMETHYL-2-TRANS-6-OCTADIENYL ACETATE
J-007463
W-108778
2,6-Octadien-1-ol,3,7-dimethyl-,1-acetate,(2E)-
2,6-OCTADIEN-1-OL,3,7-DIMETHYL-,ACETATE,(E)-
acetic acid trans-3,7-dimethyl-oct-2,6-dien-1-yl ester
Geranyl acetate, primary pharmaceutical reference standard
Geranyl acetate, food grade (71% geranyl acetate, 29% citronellyl acetate)
Microorganism:

Yes

IUPAC name[(2E)-3,7-dimethylocta-2,6-dienyl] acetate
SMILESCC(=CCCC(=CCOC(=O)C)C)C
InchiInChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
FormulaC12H20O2
PubChem ID1549026
Molweight196.29
LogP3.5
Atoms14
Bonds6
H-bond Acceptor2
H-bond Donor0
Chemical Classificationterpenes esters
CHEBI-ID5331
Supernatural-IDSN0126398-01

mVOC Specific Details

Boiling Point
DegreeReference
NA °C peer reviewed
Volatilization
The Henry's Law constant for geranyl acetate is estimated as 2.4X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that geranyl acetate 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 7.4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 6.5 days days(SRC). Geranyl acetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The volatilization half-life from a model pond is about 30 days when adsorption is considered(3). Geranyl acetate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.3X10-2 mm Hg(4).
Soil Adsorption
The Koc of geranyl acetate is estimated as 3,700(SRC), using a log Kow of 4.04(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that geranyl acetate is expected to have slight mobility in soil.
Massbank-Links

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHanseniaspora UvarumYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaSaccharomycopsis Vinisynthetic grape juiceHS-SPMEno
Kluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
Saccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno