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Crotonyl alcohol

Crotonyl alcohol Basic information
Product Name:Crotonyl alcohol
Synonyms:1-Hydroxy-2-butylene;2-Butenol;2-Butenyl alcohol;2-butenylalcohol;Crotyl alcohol, cis and trans Mixture, 90% 100GR;2-Buten-1-ol 3-Methylallyl Alcohol;Crotyl Alcohol ;2-Buten-1-ol, cis + trans, 97%
CAS:6117-91-5
MF:C4H8O
MW:72.11
EINECS:228-086-7
Product Categories:Acyclic;Alkenes;Building Blocks;Chemical Synthesis;Organic Building Blocks;1
Mol File:6117-91-5.mol
Crotonyl alcohol Structure
Crotonyl alcohol Chemical Properties
Melting point -91.3°C (estimate)
Boiling point 121-122 °C(lit.)
density 0.845 g/mL at 25 °C(lit.)
refractive index n20/D 1.427(lit.)
Fp 37 °C
storage temp. Flammables area
solubility Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)
pka14.70±0.10(Predicted)
form clear liquid
color Colorless to Almost colorless
Water Solubility Miscible with water.
Merck 14,2601
BRN 1719374
InChIKeyWCASXYBKJHWFMY-NSCUHMNNSA-N
LogP0.636 (est)
CAS DataBase Reference6117-91-5(CAS DataBase Reference)
NIST Chemistry Reference2-Buten-1-ol(6117-91-5)
EPA Substance Registry System2-Buten-1-ol (6117-91-5)
Safety Information
Hazard Codes Xn,F
Risk Statements 10-21/22
Safety Statements 36/37
RIDADR UN 1987 3/PG 3
WGK Germany 3
RTECS EM9275000
Hazard Note Harmful/Highly Flammable
TSCA Yes
HazardClass 3
PackingGroup II
HS Code 29052900
ToxicityLD50 orally in rats: 0.93 ml/kg (Smyth)
MSDS Information
ProviderLanguage
Crotonyl alcohol English
SigmaAldrich English
ACROS English
ALFA English
Crotonyl alcohol Usage And Synthesis
Chemical PropertiesClear light yellow liquid
UsesCrotyl alcohol can be used as a starting material in the synthesis of antitumor agents such as 14-azacamptothecin and 10, 11-methylenedioxy-14-azacamptothecin. It can also be used as a precursor in the total synthesis of discodermolide.
UsesChemical intermediate, source of monomers, herbicide, and soil fumigant.
DefinitionChEBI: A primary alcohol in which the hydroxy function is bonded to a CH3CH2CHCH21 (crotyl) group.
HazardToxic by ingestion, strong eye and skin irritant. Moderate fire risk.
Safety ProfileModerately toxic by ingestion and skin contact. Mutation data reported. Dangerous fire hazard when exposed to heat or flame; can react with oxidizing materials. To fight fire, use alcohol foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also ALCOHOLS.
Crotonyl alcohol Preparation Products And Raw materials
Raw materialsALDOL-->2,4,6-Octatrienal-->2,4-Hexadienal-->2-vinyl-2-butenal-->1-Butanol-->Crotonaldehyde-->Butyraldehyde-->Acetaldehyde-->2-Methylbenzaldehyde
Preparation Products1,1-Diethoxybutane-->3-Chloro-1-butene-->Acetal-->1-Chloro-2-butene
-METHYL-2-BUTEN-1 -OL METHYL-2-BUTEN-1-OL, 3-(SG) Polybutene 3-Buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- 1-Cyclohexyl-2-buten-1-ol (c,t) 2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)- 3-Buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, acetate Trans-4-Chloro-2-Buten-1-ol Dihydromyrcenol 1-(2-CHLOROPHENYL)-3-BUTEN-1-OL 3-Buten-2-ol, 2-methyl-4-phenyl-, (3E)- 2-Buten-1-ol,4-(2-ethyl-1H-indol-3-yl)-,(2E)-(9CI) 2-Buten-1-ol,3-methyl-,4-aminobenzoate(9CI) 1,3-diphenyl-2-buten-1-ol Crotonyl alcohol Crotonic anhydride 2-Buten-2-ol, 4,4,4-trifluoro- (9CI) trans-4-Chloro-2-butene-1-ol
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