Methyl but-2-enoate

HCID 12181
NotesReactions
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Basic information

CAS
18707-60-3
Standard SMILES
CC=CC(=O)OC
InChIKey
MCVVUJPXSBQTRZ-UHFFFAOYSA-N
Molecular formula
C5H8O2
Average molar mass
100.12 g/mol
Monoisotopic mass
100.05242949

Names & identifiers

Preferred name
Methyl but-2-enoate
IUPAC
methyl but-2-enoate
English name
Methyl crotonate
Molecular formula
C5H8O2
Molecular weight
100.12

Names & synonyms

methyl but-2-enoateRefChem:1089552methyl butenoatemethyl 3-methylacrylatemethyl-3-methylacrylateSCHEMBL37099SCHEMBL294474SCHEMBL1464171SCHEMBL1877444SCHEMBL1877447SCHEMBL3987201SCHEMBL4921734
Show more names
(E)-Methyl but-2-enoate2-Butenoic acid methyl esterNsc18745NSC 44868Methyl crotonateMethyl 2-butenoateCROTONIC ACID METHYL ESTER1-(Methoxycarbonyl)propeneTRANS-2-BUTENOIC ACID METHYL ESTER
SCHEMBL9569403AKOS025243552

Database identifiers

CAS
18707-60-3
PubChem CID
12181
DTXSID
DTXSID30862315

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
7

Physicochemical properties

Melting point
122 · 122-124℃
Boiling point
118 · 118-120 °C(lit.)
Density
0.944 g/mL · 0.944 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.423(lit.)
Flash point
40 °F · 40 °F
LogP
3.381 · 3.381 (est)

Safety & regulation

Safety data

wgk
2
rtecs
GQ5710000
ridadr
UN 3272 3/PG 2
risk_code
11-36/37/38
hazard_code
F,Xi
safety_code
16-26-36

Chemistry & industry

Applications

UsesMETHYL CROTONATE is used in organic synthesis and flavor formulation, etc.

Suppliers7 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
武汉福鑫化工有限公司027-59207852 13308628970 · [email protected]

Related reactions

21 records
New reaction record

Compound notes

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