ChemicalBook--->CAS DataBase List--->6117-91-5

6117-91-5

6117-91-5 Structure

6117-91-5 Structure
IdentificationMore
[Name]

Crotonyl alcohol
[CAS]

6117-91-5
[Synonyms]

1-HYDROXY-2-BUTENE
2-BUTEN-1-OL
2-BUTENE-1-OL
3-METHYLALLYL ALCOHOL
Crotonyl alcoho1
CROTONYL ALCOHOL
CROTYL ALCOHOL
PROPENYLCARBINOL
TRANS-1-PROPENYLCARBINOL
TRANS-2-BUTEN-1-OL
TRANS-3-METHYLALLYL ALCOHOL
1-Hydroxy-2-butylene
2-buten-1-ol (crotyl alcohol)
2-Butenol
2-Butenyl alcohol
2-butenylalcohol
CH3CH=CHCH2OH
Crotyl alcohol,c&t
Krotylalkohol
-Methylallylalcohol
[EINECS(EC#)]

207-996-8
[Molecular Formula]

C4H8O
[MDL Number]

MFCD00002923
[Molecular Weight]

72.11
[MOL File]

6117-91-5.mol
Chemical PropertiesBack Directory
[Appearance]

Clear light yellow liquid
[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)
[form ]

clear liquid
[pka]

14.70±0.10(Predicted)
[color ]

Colorless to Almost colorless
[Water Solubility ]

Miscible with water.
[Merck ]

14,2601
[BRN ]

1719374
[InChI]

1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+
[InChIKey]

WCASXYBKJHWFMY-NSCUHMNNSA-N
[SMILES]

C\C=C\CO
[LogP]

0.636 (est)
[Uses]

Chemical intermediate, source of monomers, herbicide, and soil fumigant.
[CAS DataBase Reference]

6117-91-5(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Buten-1-ol(6117-91-5)
[EPA Substance Registry System]

6117-91-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H302+H312
[Precautionary statements ]

P210-P280-P301+P312+P330-P302+P352+P312
[Hazard Codes ]

Xn,F
[Risk Statements ]

R10:Flammable.
R21/22:Harmful in contact with skin and if swallowed .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
[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
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Flam. Liq. 3
[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.
[Toxicity]

LD50 orally in rats: 0.93 ml/kg (Smyth)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

ALDOL-->2,4,6-Octatrienal-->2,4-Hexadienal-->2-vinyl-2-butenal-->1-Butanol-->Crotonaldehyde (trans predominantly)-->Butyraldehyde-->Acetaldehyde-->2-Methylbenzaldehyde
[Preparation Products]

1,1-Diethoxybutane-->3-Chloro-1-butene-->Acetal-->1-Chloro-2-butene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Crotonyl alcohol(6117-91-5).msds
Hazard InformationBack Directory
[Hazard]

Toxic by ingestion, strong eye and skin irritant. Moderate fire risk.
[Chemical Properties]

Clear light yellow liquid
[Definition]

ChEBI: A primary alcohol in which the hydroxy function is bonded to a CH3CH2CHCH21 (crotyl) group.
Spectrum DetailBack Directory
[Spectrum Detail]

Crotonyl alcohol(6117-91-5)1HNMR
Crotonyl alcohol(6117-91-5)IR
Crotonyl alcohol(6117-91-5)FT-IR
Crotonyl alcohol(6117-91-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Crotyl alcohol, cis and trans mixture, 90%(6117-91-5)
[Alfa Aesar]

2-Buten-1-ol, cis + trans (ca 1:19), 96%(6117-91-5)
[Sigma Aldrich]

6117-91-5(sigmaaldrich)
[TCI AMERICA]

Crotyl Alcohol  (cis-and trans-mixture),>95.0%(GC)(6117-91-5)
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