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Substance Name: Geranyl acetate
RN: 105-87-3
UNII: 3W81YG7P9R
InChIKey: HIGQPQRQIQDZMP-DHZHZOJOSA-N
Note
- Constituted about 90% of the palmarosa oil.
Molecular Formula
- C12-H20-O2
Molecular Weight
- 196.288
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- Skin / Eye Irritant
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Names and Synonyms
Name of Substance
- 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate
- 3,7-Dimethyl-2,6-octadien-1-ol acetate
- Geranyl acetate
Synonyms
- 2,6-Dimethyl-2,6-octadiene-8-yl acetate
- 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-
- 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-
- 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-
- 3,7-Dimethyl-2-trans, 6-octadienyl acetate
- 4-02-00-00204 (Beilstein Handbook Reference)
- Acetic acid, geraniol ester
- AI3-00207
- Bay pine (oyster) oil
- BRN 1722815
- CCRIS 877
- EC 203-341-5
- EINECS 203-341-5
- FEMA No. 2509
- FEMA Number 2509
- Geraniol acetate
- Geranyl acetate
- Geranyl acetate (natural)
- Geranyl acetate A
- HSDB 586
- NCI-C54728
- NSC 2584
- trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate
- trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate
- trans-3,7-Dimethyl-2,6-octadien-1-yl acetate
- trans-Geraniol acetate
- UNII-3W81YG7P9R
Systematic Names
- 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-
- 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-
- 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-
- Geranyl acetate
Superlist Name
- Geranyl acetate
Registry Numbers
CAS Registry Number
- 105-87-3
FDA UNII
- 3W81YG7P9R
Other Registry Numbers
- 130396-84-8
- 8022-83-1
System Generated Number
- 0000105873
Structure Descriptors
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+InChIKey
HIGQPQRQIQDZMP-DHZHZOJOSA-NSmiles
CC(=CCC\C(=C\COC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | oral | 8gm/kg (8000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Toxicology Program Technical Report Series. Vol. NTP-TR-252, Pg. 1987, |
| rat | LD50 | oral | 6330mg/kg (6330mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | < 25 | deg C | EXP | |
| Boiling Point | 240 | deg C | EXP | |
| log P (octanol-water) | 4.04 | (none) | EXP | |
| Water Solubility | 6.890 | mg/L | 25 | EST |
| Henry's Law Constant | 2.42E-03 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.78E-10 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.