3,3-dimethyl cyclohexanone
information only not used for fragrances or flavors
| 2D: |
 |
| 3D: |
|
| CAS Number: |
2979-19-3
|
| ECHA EC Number: |
628-905-1 |
| FDA UNII: |
Search |
| Category: |
information only not used for fragrances or flavors |
| IUPAC Name: |
3,3-dimethyl cyclohexanone |
| InChI : |
InChI=1/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3 |
| Std.InChI: |
InChI=1S/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3 |
| InChIKey : |
ZVJQBBYAVPAFLX-UHFFFAOYAZ |
| Std.InChIKey: |
ZVJQBBYAVPAFLX-UHFFFAOYSA-N |
| SMILES : |
CC1(CCCC(=O)C1)C |
| Molar Refractivity : |
37.12 ± 0.3 cm3 (est) |
| Parachor : |
322.2 ± 6.0 cm3 (est) |
| Index of Refraction : |
1.438 ± 0.02
(est) |
| Surface Tension : |
27.0 ± 3.0 dyne/cm (est) |
| Density : |
0.892 ± 0.06 g/cm3 (est) |
| Polarizability : |
14.71 ± 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 |
| Soluble in: |
| | water, 1874 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 3,3-dimethyl cyclohexanone usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for 3,3-dimethyl cyclohexanone flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| | cyclohexanone, 3,3-dimethyl- |
| 3,3- | dimethylcyclohexan-1-one |
| 3,3- | dimethylcyclohexanone |
