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Substance Name: Linalyl acetate
RN: 115-95-7
UNII: 5K47SSQ51G
InChIKey: UWKAYLJWKGQEPM-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C12-H20-O2
Molecular Weight
- 196.288
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
- 3,7-Dimethyl-1,6-ctadien-3-ol acetate
- Linalyl acetate
Synonyms
- 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
- 3,7-Dimethyl-1,6-octadien-3-ol acetate
- 3,7-Dimethyl-1,6-octadien-3-yl acetate
- Acetic acid linalool ester
- AI3-00941
- Bergamiol
- Bergamol
- Bergamot mint oil
- EC 204-116-4
- EINECS 204-116-4
- EINECS 254-806-4
- Ex bois de rose (synthetic)
- FEMA No. 2636
- HSDB 644
- Licareol acetate
- Linalol acetate
- Linalool acetate
- Linalyl acetate
- Linalyl acetate (natural)
- Lynalyl acetate
- NSC 2138
- UNII-5K47SSQ51G
Systematic Names
- (1)-1,5-Dimethyl-1-vinylhex-4-enyl acetate
- 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate
- 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
- Linalyl acetate
Superlist Names
- 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
- Dehydrolinalool, acetate
- Linalool acetate
- Linalyl acetate
Registry Numbers
CAS Registry Number
- 115-95-7
FDA UNII
- 5K47SSQ51G
Other Registry Numbers
- 16509-66-3
- 40135-38-4
- 8022-85-3
System Generated Number
- 0000115957
Structure Descriptors
InChI
InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3InChIKey
UWKAYLJWKGQEPM-UHFFFAOYSA-NSmiles
CC(=CCCC(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 12gm/kg (12000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: ATAXIA | Toksikologicheskii Vestnik. Vol. (5), Pg. 41, 1994. |
rat | LD50 | oral | 13934mg/kg (13934mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: ATAXIA | Toksikologicheskii Vestnik. Vol. (5), Pg. 41, 1994. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | < 25 | deg C | EXP | |
Boiling Point | 220 | deg C | EXP | |
log P (octanol-water) | 3.93 | (none) | EXP | |
Water Solubility | 8.200 | mg/L | 25 | EST |
Henry's Law Constant | 1.74E-03 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 1.16E-10 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.