4-methyl hexanal
natural substances and extractives
| 2D: |
 |
| 3D: |
|
| CAS Number: |
41065-97-8
|
| FDA UNII: |
Search |
| Category: |
natural substances and extractives |
| IUPAC Name: |
4-methyl hexanal |
| InChI : |
InChI=1/C7H14O/c1-3-7(2)5-4-6-8/h6-7H,3-5H2,1-2H3 |
| Std.InChI: |
InChI=1S/C7H14O/c1-3-7(2)5-4-6-8/h6-7H,3-5H2,1-2H3 |
| InChIKey : |
GIGNTOMJQYNUNL-UHFFFAOYAH |
| Std.InChIKey: |
GIGNTOMJQYNUNL-UHFFFAOYSA-N |
| SMILES : |
O=CCCC(C)CC |
| Molar Refractivity : |
34.62 ± 0.3 cm3 (est) |
| Parachor : |
316.9 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.403 ± 0.02
(est) |
| Surface Tension : |
24.9 ± 3.0 dyne/cm (est) |
| Density : |
0.805 ± 0.06 g/cm3 (est) |
| Polarizability : |
13.72 ± 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: | 141.20 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 5.920000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 91.00 °F. TCC ( 32.60 °C. ) (est) |
| logP (o/w): | 2.286 (est) |
| Soluble in: |
| | water, 1348 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: |
| natural substances and extractives |
| Recommendation for 4-methyl hexanal usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for 4-methyl hexanal flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| | hexanal, 4-methyl- |
| 4- | methylhexanal |
