3-methyl-2-hexen-1-ol 1-acetate
fragrance agents
| 2D: |
 |
| 3D: |
|
| CAS Number: |
341017-24-1
|
| FDA UNII: |
Search |
| Category: |
fragrance agents |
| IUPAC Name: |
3-methyl-2-hexen-1-ol 1-acetate |
| InChI : |
InChI=1/C9H16O2/c1-4-5-8(2)6-7-11-9(3)10/h6H,4-5,7H2,1-3H3 |
| Std.InChI: |
InChI=1S/C9H16O2/c1-4-5-8(2)6-7-11-9(3)10/h6H,4-5,7H2,1-3H3 |
| InChIKey : |
WPKWKTFXIURJFK-UHFFFAOYAM |
| Std.InChIKey: |
WPKWKTFXIURJFK-UHFFFAOYSA-N |
| SMILES : |
CCCC(=CCOC(=O)C)C |
| Molar Refractivity : |
45.42 ± 0.3 cm3 (est) |
| Parachor : |
398.3 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.435 ± 0.02
(est) |
| Surface Tension : |
27.4 ± 3.0 dyne/cm (est) |
| Density : |
0.897 ± 0.06 g/cm3 (est) |
| Polarizability : |
18.00 ± 0.5 10-24cm3 (est) |
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 194.95 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.430000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 163.00 °F. TCC ( 72.90 °C. ) (est) |
| logP (o/w): | 3.132 (est) |
| Soluble in: |
| | water, 142.2 mg/L @ 25 °C (est) |
Safety Information:
| |
| Hazards identification |
| |
| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
| |
| Pictogram | |
| |
| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
| Not determined |
| Dermal Toxicity: |
| Not determined |
| Inhalation Toxicity: |
| Not determined |
Safety in Use Information:
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| | aladinate |
| 2- | hexen-1-ol, 3-methyl-, 1-acetate |
| 2- | hexen-1-ol, 3-methyl-, acetate |
| 2- | methyl-2-hexenyl acetate |
| 3- | methyl-2-hexenyl acetate |
| 3- | methylhex-2-en-1-yl acetate |
| 3- | methylhex-2-enyl acetate |
