3-methyl heptane
heptane, 3-methyl-
Identification
| Name | 3-methyl heptane |
| CAS Number | 589-81-1 |
| EINECS | 209-660-6 |
| FDA UNII | Z4R1WI6C0R |
| Molecular Formula | C8 H18 |
| Molecular Weight | 114.23146000 |
| MDL Number | MFCD00027244 |
| Nikkaji Number | J43.431K |
| Beilstein | 1730777 |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 118.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 19.600000 mmHg @ 25.00 °C. (est) |
| Flash Point | 52.00 °F. TCC ( 11.10 °C. ) (est) |
| logP (o/w) | 4.627 (est) |
| Soluble in | water, 0.792 mg/L @ 25 °C (exp) |
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 | natural substances and extractives |
| Recommendation for 3-methyl heptane usage levels up to | not for fragrance use. |
| Recommendation for 3-methyl heptane flavor usage levels up to | not for flavor use. |
Potential Uses
Natural Occurrence
Synonyms
heptane, 3-methyl-
3-
methylheptane
PubMed:
The volatile organic compounds from the mycelium of Tuber borchii Vitt.
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Exhaled breath metabolomics as a noninvasive diagnostic tool for acute respiratory distress syndrome.
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Gas chromatographic enantioseparation of unfunctionalized chiral alkanes: a challenge in separation science (overview, state of the art, and perspectives).
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Dynamics of glass-forming liquids. VIII. Dielectric signature of probe rotation and bulk dynamics in branched alkanes.
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The volatile organic compounds from the mycelium of Tuber borchii Vitt.
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Yields of bacterial cells from hydrocarbons.
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Coupling of Butyl Bromide on Hot Magnesium.