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.)

Flash point:

37 °C

storage temp. 

Flammables area

solubility 

Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)

pka

14.70±0.10(Predicted)

form 

clear liquid

color 

Colorless to Almost colorless

Water Solubility 

Miscible with water.

Merck 

14,2601

BRN 

1719374

InChIKey

WCASXYBKJHWFMY-NSCUHMNNSA-N

LogP

0.636 (est)

CAS DataBase Reference

6117-91-5(CAS DataBase Reference)

NIST Chemistry Reference

2-Buten-1-ol(6117-91-5)

EPA Substance Registry System

2-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

Toxicity

LD50 orally in rats: 0.93 ml/kg (Smyth)

MSDS

• Language:English Provider:Crotonyl alcohol
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

Crotonyl alcohol Usage And Synthesis

Chemical Properties

Clear light yellow liquid

Uses

Chemical intermediate, source of monomers, herbicide, and soil fumigant.

Uses

Crotyl 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.

Definition

ChEBI: A primary alcohol in which the hydroxy function is bonded to a CH3CH2CHCH21 (crotyl) group.

Hazard

Toxic by ingestion, strong eye and skin irritant. Moderate fire risk.

Safety Profile

Moderately 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 (6117-91-5)Related Product Information

• Polybutene
• (+)-Cloprostenol
• 1-BUTENE
• Fumaric acid
• Crotonaldehyde
• ENOLASE
• Phosphoenolpyruvate carboxylase
• 2-Butene
• Crotonic acid
• Maleic acid
• Crotonic anhydride
• 3-SULFOLENE
• Dihydromyrcenol
• Pregnenolone
• CIS-BUTENEDIOIC ANHYDRIDE
• 3-Buten-1-ol
• Ethyl acetate
• METHYL-3-BUTEN-1-OL, 3-(SG),methyl-2-butenol,3-methyl-2-buten-1-ol,2-Buten-1-ol, 3-methyl-