Articles:
1-butanol, 2-methyl-, (2S)-
Notes:
Isol. from grapes, apples, tomatoes etc.
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| CAS Number: | 1565-80-6 |  3D/inchi
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| ECHA EINECS - REACH Pre-Reg: | 216-366-1 | |
| FDA UNII: | II2QJB35IC | |
| Nikkaji Web: | J9.253C | |
| Beilstein Number: | 1718809 | |
| MDL: | MFCD00064299 | |
| XlogP3-AA: | 1.20 (est) | |
| Molecular Weight: | 88.14984000 | |
| Formula: | C5 H12 O | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
Category: information only not used for fragrances or flavors
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 clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.81800 to 0.82400 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 6.815 to 6.864 |
| Refractive Index: | 1.40800 to 1.41200 @ 20.00 °C. |
| Optical Rotation: | -6.2 to -5.3 |
| Boiling Point: | 128.00 to 129.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 4.760000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 110.00 °F. TCC ( 43.30 °C. ) (est) |
| logP (o/w): | 1.223 (est) |
| Soluble in: | |
| alcohol | |
| water | |
| water, 3.22e+004 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Description: | ethereal fresh |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| (S)-(-)-2-Methyl-1-butanol >98.0% |
| Carbosynth |
| For experimental / research use only. |
| (S)-(-)-2-Methyl-1-butanol |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| (S)-(-)-2-Methyl-1-butanol |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| (S)-(-)-2-Methylbutanol 99% |
| TCI AMERICA |
| For experimental / research use only. |
| (S)-(-)-2-Methyl-1-butanol >98.0%(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: | information only not used for fragrances or flavors | ||
| Recommendation for (S)-(-)-2-methyl-1-butanol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for (S)-(-)-2-methyl-1-butanol 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): | 1565-80-6 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 2723602 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| (2S)-2-methylbutan-1-ol | |
| Chemidplus: | 0001565806 |
References:
| Leffingwell: | Chirality or Article |
| (2S)-2-methylbutan-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1565-80-6 |
| Pubchem (cid): | 2723602 |
| Pubchem (sid): | 135059827 |
| Flavornet: | 1565-80-6 |
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 |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | HMDB31527 |
| FooDB: | FDB008130 |
| Export Tariff Code: | 2905.19.9090 |
| 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
| apple fruit Search PMC Picture | |
| grape Search Trop Picture | |
| tomato Search Trop Picture |
Synonyms:
| 1- | butanol, 2-methyl-, (2S)- |
| 1- | butanol, 2-methyl-, (S)- |
| (S)-2- | methyl butan-1-ol |
| (S)-2- | methyl butanol |
| (2S)-2- | methyl-1-butanol |
| (S)-2- | methyl-1-butanol |
| (2S)-2- | methyl-butan-1-ol |
| (2S)-2- | methylbutan-1-ol |
| (S)-2- | methylbutan-1-ol |
| (S)-(-)-2- | methylbutanol |
| (S)-2- | methylbutanol |