2,2,4,6,6-pentamethyl heptane
heptane, 2,2,4,6,6-pentamethyl-
Identification
| Name | 2,2,4,6,6-pentamethyl heptane |
| IUPAC | 2,2,4,6,6-pentamethylheptane |
| CAS Number | 13475-82-6 |
| EINECS | 236-757-0 |
| FDA UNII | A8289P68Y2 |
| Molecular Formula | C12 H26 |
| Molecular Weight | 170.33922000 |
| MDL Number | MFCD00026334 |
| Nikkaji Number | J133.533B |
| Beilstein | 1731750 |
Regulatory
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 177.00 to 178.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 1.422000 mmHg @ 25.00 °C. (est) |
| Flash Point | 137.00 °F. TCC ( 58.40 °C. ) (est) |
| logP (o/w) | 6.156 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | cosmetic agents |
| Recommendation for 2,2,4,6,6-pentamethyl heptane usage levels up to | not for fragrance use. |
| Recommendation for 2,2,4,6,6-pentamethyl heptane flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
heptane, 2,2,4,6,6-pentamethyl-
2,2,4,6,6-
pentamethylheptane
PubMed:
Allergic asthma exhaled breath metabolome: a challenge for comprehensive two-dimensional gas chromatography.
PubMed:
Multimedia modeling of human exposure to chemical substances: the roles of food web biomagnification and biotransformation.
PubMed:
Bioconcentration of n-dodecane and its highly branched isomer 2,2,4,6,6-pentamethylheptane in fathead minnows.
PubMed:
Radiolysis products from the x-irradiation of 2,2,4,6,6-pentamethylheptane.