cyclohexyl heptanoate
information only not used for fragrances or flavors
| 2D: |
 |
| 3D: |
|
| CAS Number: |
5454-26-2
|
| FDA UNII: |
Search |
| Category: |
information only not used for fragrances or flavors |
| IUPAC Name: |
cyclohexyl heptanoate |
| InChI : |
InChI=1/C13H24O2/c1-2-3-4-8-11-13(14)15-12-9-6-5-7-10-12/h12H,2-11H2,1H3 |
| Std.InChI: |
InChI=1S/C13H24O2/c1-2-3-4-8-11-13(14)15-12-9-6-5-7-10-12/h12H,2-11H2,1H3 |
| InChIKey : |
WRFAGNPJDOSOAP-UHFFFAOYAC |
| Std.InChIKey: |
WRFAGNPJDOSOAP-UHFFFAOYSA-N |
| SMILES : |
CCCCCCC(=O)OC1CCCCC1 |
| Molar Refractivity : |
62.02 ± 0.4 cm3 (est) |
| Parachor : |
544.6 ± 6.0 cm3 (est) |
| Index of Refraction : |
1.455 ± 0.03 (est) |
| Surface Tension : |
32.2 ± 5.0 dyne/cm (est) |
| Density : |
0.92 ± 0.1 g/cm3 (est) |
| Polarizability : |
24.59 ± 0.5 10-24cm3 (est) |
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.97000 @ 25.00 °C. |
| Boiling Point: | 265.00 to 266.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.009000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 220.00 °F. TCC ( 104.60 °C. ) (est) |
| logP (o/w): | 4.795 (est) |
| Soluble in: |
| | alcohol |
| | water, 1.672 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:
| Category: |
| information only not used for fragrances or flavors |
| Recommendation for cyclohexyl heptanoate usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for cyclohexyl heptanoate flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
