5-phenyl-4-hexan-2-one
fragrance agents
| 2D: |
 |
| 3D: |
|
| CAS Number: |
35151-11-2
|
| ECHA EC Number: |
252-398-2 |
| FDA UNII: |
Search |
| Category: |
fragrance agents |
| IUPAC Name: |
5-phenyl-4-hexan-2-one |
| InChI : |
InChI=1/C12H14O/c1-10(8-9-11(2)13)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3/b10-8- |
| Std.InChI: |
InChI=1S/C12H14O/c1-10(8-9-11(2)13)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3/b10-8- |
| InChIKey : |
LZVVXQDWHWOTMR-NTMALXAHBA |
| Std.InChIKey: |
LZVVXQDWHWOTMR-NTMALXAHSA-N |
| SMILES : |
CC(=O)C/C=C(/C)\C1=CC=CC=C1 |
| Molar Refractivity : |
54.71 ± 0.3 cm3 (est) |
| Parachor : |
434.9 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.518 ± 0.02 (est) |
| Surface Tension : |
33.7 ± 3.0 dyne/cm (est) |
| Density : |
0.965 ± 0.06 g/cm3 (est) |
| Polarizability : |
21.68 ± 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: | 288.00 to 300.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 282.00 °F. TCC ( 138.80 °C. ) (est) |
| logP (o/w): | 2.668 (est) |
| Soluble in: |
| | alcohol |
| | water, 244.5 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
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:
| 4- | hexen-2-one, 5-phenyl- |
| 5- | phenyl hex-4-en-2-one |
| 5- | phenyl-4-hexan-2-one |
| (Z)-5- | phenylhex-4-en-2-one |
| 5- | phenylhex-4-en-2-one |
