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

2-buten-1-ol
1-hydroxy-2-butene

Supplier Sponsors

CAS Number: 6117-91-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:228-086-7
FDA UNII:D7F26UNN0B
Beilstein Number:1719374
MDL:MFCD00002923
CoE Number:11737
XlogP3-AA:0.40 (est)
Molecular Weight:72.10696000
Formula:C4 H8 O
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:02.130 (Old)
 
Physical Properties:
Appearance:pale yellow clear liquid (est)
Assay: 80.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.84900 to 0.85900 @ 20.00 °C.
Pounds per Gallon - (est).: 7.073 to 7.156
Refractive Index:1.42700 to 1.43100 @ 20.00 °C.
Boiling Point: 120.00 to 122.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.800000 mmHg @ 20.00 °C.
Flash Point: 99.00 °F. TCC ( 37.22 °C. )
logP (o/w): 0.636 (est)
Soluble in:
 alcohol
 water, 1.00E+06 mg/L @ 20 °C (exp)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Penta International
2-BUTEN-1-OL
Santa Cruz Biotechnology
For experimental / research use only.
Crotyl alcohol, mixture of cis and trans
Sigma-Aldrich: Aldrich
For experimental / research use only.
Crotyl alcohol 96%, mixture of cis and trans
TCI AMERICA
For experimental / research use only.
Crotyl Alcohol (cis- and trans- mixture) >95.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
S 24 - Avoid contact with skin.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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:
oral-rat LD50 793 mg/kg
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Dermal Toxicity:
skin-rabbit LD50 1084 mg/kg
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Inhalation Toxicity:
inhalation-rat LCLo 2000 ppm/4H
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

 
Safety in Use Information:
Category: flavoring agents
Recommendation for 2-buten-1-ol usage levels up to:
 not for fragrance use.
 
 
Safety References:
EPI System: View
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):6117-91-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :20024
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1987
WGK Germany:3
but-2-en-1-ol
Chemidplus:0006117915
RTECS:EM9275000 for cas# 6117-91-5
 
References:
 but-2-en-1-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:6117-91-5
Pubchem (cid):20024
Pubchem (sid):134986599
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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):HMDB33858
FooDB:FDB012042
Export Tariff Code:2905.29.9000
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 but-2-en-1-ol
2-butene-1-ol
2-butenol
2-butenyl alcohol
 crotonyl alcohol
 crotyl alcohol
1-hydroxy-2-butene
1-hydroxybut-2-ene
3-methyl allyl alcohol
 
 
Notes:
Isol. from rapeseed oil
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