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| CAS Number | 105-87-3 |
| Catalog Number | AG003QQZ(AGN-PC-0NW851) |
| Chemical Name | Geranyl Acetate |
| FEMA Number | 2509 |
| IUPAC Name | [(2E)-3,7-dimethylocta-2,6-dienyl] acetate |
| InChI | InChI=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+ |
| InChI Key | HIGQPQRQIQDZMP-DHZHZOJOSA-N |
| MDL Number | MFCD00015037 |
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.2860 |
| NSC Number | 2584 |
| SMILES | CC(OC/C=C(CCC=C(C)C)\\C)=O |
| UNII | 3W81YG7P9R |
| Synonyms | geraniol acetate,
geraniol acetate, (E)-isomer,
geraniol acetate, (Z)-isomer,
geranyl acetate,
nerol acetate,
neryl acetate,
GERANYL ACETATE,
105-87-3,
Geraniol acetate,
Bay pine (oyster) oil,
Acetic acid, geraniol ester,
trans-3,7-Dimethyl-2,6-octadien-1-yl acetate,
Geranyl ethanoate,
NCI-C54728,
Acetic acid, geranyl ester,
UNII-3W81YG7P9R,
CHEBI:5331,
Geranyl acetate, cis-,
NSC 2584,
MFCD00015037,
3,7-Dimethyl-2,6-octadienyl acetate,
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-,
3,7-dimethylocta-2,6-dien-1-yl acetate,
3W81YG7P9R,
3,7-Dimethyl-2-trans, 6-octadienyl acetate,
[(2E)-3,7-dimethylocta-2,6-dienyl] acetate,
Geranyl acetate A,
HIGQPQRQIQDZMP-DHZHZOJOSA-N,
trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate,
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-,
3,7-Dimethyl-2E,6-octadienyl acetate,
trans-Geraniol acetate,
3,7-Dimethyl-2,6-octadien-1-ylacetate,
DSSTox_CID_654,
16409-44-2,
(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate,
DSSTox_RID_75714,
DSSTox_GSID_20654,
Meraneine,
W-108778,
2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-,
trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate,
trans-geranyl acetate,
CAS-105-87-3,
Neryl acetate (natural),
2,6-Dimethyl-2,6-octadiene-8-yl acetate,
trans-3,7- dimethyl-2,6-octadien-1-ol acetate,
3,7-Dimethyloctyl acetate, tetradehydro derivative,
FEMA No. 2773,
1-Octanol, 3,7-dimethyl-, acetate, tetradehydro deriv.,
1-Octanol, 3,7-dimethyl-, 1-acetate, tetradehydro deriv.,
geranylacetat,
EINECS 205-459-2,
BRN 1722814,
68311-13-7,
Acetic acid geranyl,
3,7-Dimethyl-2,6-octadien-1-ol acetate,
EINECS 269-749-0,
AI3-35817,
beta-Geranyl Acetate,
trans-3,7-Dimethyl-2,6-octadienyl acetate,
Geranyl Acetate 60,
3,7-Dimethyl-2,6-octadienyl acetate, (Z)-,
Geranyl acetate, FCC,
(E)-3,7-Dimethyl-2,6-octadien-1-yl acetate,
Geranyl Acetate 98,
Geranyl Acetate, Extra,
3,7-Dimethyl-2,6-octadien-1-yl acetate, cis-,
3,7-Dimethyl-2,6-octadien-1-yl ethanoate, cis-,
Trans-3,7-dimethyl-2,6-octadien-1-yl ethanoate,
AC1LU7NR,
3, 6-octadienyl acetate,
Acetic acid geraniol ester,
GERANYL ACETATE FCC,
Monoterpene Acetate mixture,
EC 203-341-5,
Geranyl acetate, >=97%,
AC1Q65TG,
(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate,
GERANYL ACETATE EXTRA,
SCHEMBL56913,
SCHEMBL56914,
4-02-00-00204 (Beilstein Handbook Reference),
MLS002152904,
Geranyl acetate, natural, FCC,
Jsp000549,
CHEMBL1369384,
DTXSID0020654,
CHEBI:88568,
NSC2584,
HMS2268G10,
NSC-2584,
trans-3,6-octadien-1-ol, acetate,
ZINC1531610,
ZX-AT010684,
Geranyl acetate, analytical standard,
Tox21_202089,
Tox21_300355,
WLN: 1Y & U3YU2OV1-T,
BDBM50037025,
LMFA07010189,
OR6044,
2, 3,7-dimethyl-, acetate,(E)-,
2, 3,7-dimethyl-, acetate, trans-,
3,7-Dimethyl-2,6-octadienyl=acetate,
AKOS015837938,
2, 3,7-dimethyl-, acetate, (E)-,
LS-2979,
NCGC00091394-01,
NCGC00091394-02,
NCGC00091394-03,
NCGC00091394-04,
NCGC00254482-01,
NCGC00259638-01,
33843-18-4,
AN-22398,
CC-35196,
CJ-05234,
CJ-24102,
O310,
SMR000127400,
3,7-dimethyl-2,6-octadien-1-yl acetate,
TC-169893,
3,7-Dimethyl-2,6-octadien-1-ylacetic acid,
G0028,
(2E)-3,7-Dimethyl-2,6-octadienyl acetate #,
C09861,
(2Z)-3,7-dimethyl-2,6-octadien-1-yl acetate,
I14-1178,
J-007463,
I14-18212,
2,6-Octadien-1-ol,3,7-dimethyl-, 1-acetate, (2E)-,
Geranyl acetate, primary pharmaceutical reference standard,
Geranyl acetate, food grade (71% geranyl acetate, 29% citronellyl acetate),
3,7-Dimethyl-2,6-octadienyl acetate, mixture of isomers, >97.0% (sum of isomers, GC),
8022-83-1,
Neryl acetate,
Nerol acetate,
Neryl ethanoate,
FEMA Number 2509,
Geranyl acetate (natural),
CCRIS 877,
FEMA No. 2509,
HSDB 586,
geraniol acetate, (E)-isomer,
geraniol acetate, (Z)-isomer,
C12H20O2,
EINECS 203-341-5,
BRN 1722815,
EINECS 240-458-0,
AR-1F0204,
NSC-72031,
3,7-Dimethylocta-2,6-dienyl acetate,
AI3-00207,
C12-H20-O2,
CID1549026,
Geranyl acetate, 70% - 100G 100g,
WE(12:2),
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-,
3,7 - dimethylocta - 2,6 - dienyl acetate,
cis-3,7-Dimethyl-2,6-octadien-1-ol acetate,
cis-3,7-Dimethyl-2,6-octadien-1-yl acetate,
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-,
3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-,
trans-3,7-dimethyl-2,6-octadien-1-ol acetate,
C432872,
1,6-Octadiene, 7-methyl-3-methylene-, acetylated,
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-,
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)-,
2,6-octadien-1-ol, 3,7-dimetil-, 1-acetato, (2e)-,
141-12-8,
16709-23-2,
68412-04-4,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 196.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.29g/mol |
| Monoisotopic Mass | 196.146g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H315-H319 |
| Packing Group | |
| Precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
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