Articles:
3-heptanol, 4-methyl- (VAN) (8CI)(9CI)
Notes:
None found
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| CAS Number: | 14979-39-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 239-058-9 | |
| FDA UNII: | L4RU749510 | |
| Nikkaji Web: | J49.363E | |
| Beilstein Number: | 1733008 | |
| MDL: | MFCD00004568 | |
| XlogP3-AA: | 2.70 (est) | |
| Molecular Weight: | 130.23066000 | |
| Formula: | C8 H18 O | |
| BioActivity Summary: | listing | |
| 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:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.82700 @ 25.00 °C. |
| Boiling Point: | 170.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.900000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 130.00 °F. TCC ( 54.44 °C. ) |
| logP (o/w): | 2.630 (est) |
| Soluble in: | |
| water, 1420 mg/L @ 25 °C (exp) | |
| water, 1594 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 4-Methyl-3-heptanol, mixture of isomers 95% |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 4-Methyl-3-heptanol, mixture of isomers |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 4-Methyl-3-heptanol, mixture of isomers ≥99% |
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: | |
|
intravenous-mouse LD50 180 mg/kg U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03236 | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for 4-methyl-3-heptanol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 4-methyl-3-heptanol flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 26989 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 4-methylheptan-3-ol | |
| Chemidplus: | 0014979396 |
| RTECS: | MJ4600000 for cas# 14979-39-6 |
References:
| 4-methylheptan-3-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 26989 |
| Pubchem (sid): | 134990136 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2905.16.0050 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| 2- | amyl ethyl carbinol |
| ethyl 2-pentyl carbinol | |
| heptan-3-ol, 4-methyl- | |
| 3- | heptanol, 4-methyl- |
| 3- | heptanol, 4-methyl- (VAN) (8CI)(9CI) |
| 3- | heptanol, 4-methyl- (VAN8CI9CI) |
| 4- | methyl heptan-3-ol |
| 4- | methylheptan-3-ol |