EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes

1-butanol, 2-methyl-, (2S)-

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CAS Number: 1565-80-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:216-366-1
Nikkaji Web:J9.253C
Beilstein Number:1718809
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
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:
 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
BOC Sciences
For experimental / research use only.
(S)-(-)-2-Methyl-1-butanol >98.0%
For experimental / research use only.
Santa Cruz Biotechnology
For experimental / research use only.
Sigma-Aldrich: Aldrich
For experimental / research use only.
(S)-(-)-2-Methylbutanol 99%
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
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:
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
Leffingwell:Chirality or Article
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1565-80-6
Pubchem (cid):2723602
Pubchem (sid):135059827
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):HMDB31527
Export Tariff Code:2905.19.9090
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 apple fruit
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1-butanol, 2-methyl-, (2S)-
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Isol. from grapes, apples, tomatoes etc.
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