Crotyl alcohol

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CAS Number

6117-91-5

Synonyms

But-2-en-1-ol, 1-Hydroxybut-2-ene

MDL Number

MFCD00002923

Purity

=95%

Smiles

C\C=C/CO

Additionnal Information

Predominantly trans

Chemical Information

2-Buten-1-ol

RN given refers to cpd without isomeric designation

CAS Number	6117-91-5
PubChem CID	20024
IUPAC Name	but-2-en-1-ol
Molecular Formula	C4H8O
Molecular Weight	72.11
XLogP	0.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	5
Formal Charge	0
Complexity	30

SMILES

CC=CCO

InChI

InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3

InChIKey

WCASXYBKJHWFMY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6117-91-5

CID: 20024

Formula: C4H8O

MW: 72.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	72.11
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	72.057514874
Monoisotopic Mass	72.057514874
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	30.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1044222	Crotyl bromide
OR5497	Crotyl chloride
OR51978	Crotyl chloride
OR1044152-01	Trans-crotyl bromide
IN12441-01	Ruphos pd (crotyl) cl
IN12924-01	Chloro (crotyl) (tri-tert-butylphosphine) palladium (II)
BUP22987-01	Selachyl alcohol
BUP22078-01	Dehydrodiconiferyl alcohol
BUP19614	Salicyl alcohol
BUP19323	Cinnamyl alcohol

Catalog	Name
163210	Crotyl Alcohol
TRC-C818820-10G	Crotyl Alcohol (cis/trans Mixture)
sc-239586	Crotyl alcohol, mixture of cis and trans
163211	Crotyl Mercaptan
sc-255034	Crotyl bromide
C26770-01	Crotyl acrylate
sc-234427	Crotyl chloride
C26805-01	Crotyl chloride 95%
FT44818-01	Trans-Crotyl bromide
445144-01	Crotyl Bromide, Technical Grade