|
|
|
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
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
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.