2-hydroxy-3,5-dimethyl-2-cyclopenten-1-one
information only not used for fragrances or flavors
| 2D: |
 |
| 3D: |
|
| CAS Number: |
21834-98-0
|
| ECHA EC Number: |
244-603-9 |
| FDA UNII: |
Search |
| Category: |
information only not used for fragrances or flavors |
| IUPAC Name: |
2-hydroxy-3,5-dimethyl-2-cyclopenten-1-one |
| InChI : |
InChI=1/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4,9H,3H2,1-2H3 |
| Std.InChI: |
InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4,9H,3H2,1-2H3 |
| InChIKey : |
RLEJFFGSMZQXJX-UHFFFAOYAA |
| Std.InChIKey: |
RLEJFFGSMZQXJX-UHFFFAOYSA-N |
| SMILES : |
O=C1C(/O)=C(/C)CC1C |
| Molar Refractivity : |
33.79 ± 0.3 cm3 (est) |
| Parachor : |
281.0 ± 6.0 cm3 (est) |
| Index of Refraction : |
1.518 ± 0.02
(est) |
| Surface Tension : |
40.4 ± 3.0 dyne/cm (est) |
| Density : |
1.131 ± 0.06 g/cm3 (est) |
| Polarizability : |
13.39 ± 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: | 245.85 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.005000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 214.00 °F. TCC ( 101.00 °C. ) (est) |
| logP (o/w): | 0.106 (est) |
| Soluble in: |
| | water, 3326 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:
| Category: |
| information only not used for fragrances or flavors |
| Recommendation for 2-hydroxy-3,5-dimethyl-2-cyclopenten-1-one usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for 2-hydroxy-3,5-dimethyl-2-cyclopenten-1-one flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| 2- | cyclopenten-1-one, 2-hydroxy-3,5-dimethyl- |
| 2- | hydroxy-3,5-dimethyl cyclopent-2-en-1-one |
| 2- | hydroxy-3,5-dimethylcyclopent-2-en-1-one |
