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

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

Supplier Sponsors

CAS Number: 1565-80-6Picture of molecule3D/inchi
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%
sds
TCI AMERICA
For experimental / research use only.
(S)-(-)-2-Methyl-1-butanol >98.0%(GC)
sds
 
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
 

Articles:

PubMed:Relationship between changes in the total concentration of acetic acid bacteria and major volatile compounds during the acetic acid fermentation of white wine.
PubMed:The use of headspace solid phase microextraction for the characterization of volatile compounds in olive oil matrices.
PubMed:Differential field responses of the little fire ant, Wasmannia auropunctata (Roger), to alarm pheromone enantiomers.
PubMed:Sequencing and characterizing odorant receptors of the cerambycid beetle Megacyllene caryae.
PubMed:An efficient and general route to reduced polypropionates via Zr-catalyzed asymmetric CC bond formation.
PubMed:Total synthesis of nafuredin, a selective NADH-fumarate reductase inhibitor.
PubMed:Determination of alpha-alkyl-alpha-amino acids and alpha-amino alcohols by chiral-phase capillary gas chromatography and reverse-phase high-performance liquid chromatography.
 
Notes:
Isol. from grapes, apples, tomatoes etc.
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