Articles:
heptane, 3-methyl-
Notes:
Constit. of Cicer arietinum (chickpea), Jasminum sambac (Arabian jasmine) and other plant spp.
3-Methylheptane is a branched alkane isomeric to octane. Its structural formula is CH3CH2CH(CH3)CH2CH2CH2CH3. It has one stereocenter.
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| CAS Number: | 589-81-1 |  3D/inchi
|
| Other(deleted CASRN): | 116502-43-3 | |
| ECHA EINECS - REACH Pre-Reg: | 209-660-6 | |
| FDA UNII: | Z4R1WI6C0R | |
| Nikkaji Web: | J43.431K | |
| Beilstein Number: | 1730777 | |
| MDL: | MFCD00027244 | |
| XlogP3-AA: | 4.30 (est) | |
| Molecular Weight: | 114.23146000 | |
| Formula: | C8 H18 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
Category: natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
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) | |
| water, 7.965 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 3-Methylheptane 97% |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 3-Methylheptane 98% |
| TCI AMERICA |
| For experimental / research use only. |
| 3-Methylheptane >97.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| 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 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. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 589-81-1 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 11519 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 3-methylheptane | |
| Chemidplus: | 0000589811 |
References:
| 3-methylheptane | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 11519 |
| Pubchem (sid): | 134976723 |
| Pherobase: | View |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| HMDB (The Human Metabolome Database): | HMDB31583 |
| FooDB: | FDB008209 |
| Export Tariff Code: | 2901.10.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| chickpea Search Trop Picture | |
| jasminum sambac Search Trop Picture | |
| ligularia virgaurea Search Trop Picture |
Synonyms:
| heptane, 3-methyl- | |
| 3- | methylheptane |