1-Methylethyl 2-butenoate

HCID 86651
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Basic information

CAS
18060-77-0
Standard SMILES
CC=CC(=O)OC(C)C
InChIKey
AABBHSMFGKYLKE-UHFFFAOYSA-N
Molecular formula
C7H12O2
Average molar mass
128.17 g/mol
Monoisotopic mass
128.08372962

Names & identifiers

Preferred name
1-Methylethyl 2-butenoate
IUPAC
propan-2-yl but-2-enoate
English name
Crotonic acid isopropyl ester
Molecular formula
C7H12O2
Molecular weight
128.17

Names & synonyms

18060-77-0Isopropyl 2-butenoate1-Methylethyl 2-butenoateDTXSID00863738RefChem:1055849DTXCID50812317241-970-7propan-2-yl but-2-enoateisopropyl but-2-enoate2-Butenoic acid, 1-methylethyl esterEINECS 241-970-7isopropyl (E)-crotonate
Show more names
ISOPROPYL CROTONATECH3CH=CHC(O)OCH(CH3)2Isopropyl (2E)-2-butenoateCrotonic acid isopropyl ester2-Butenoic acid isopropyl esterbut-2-enoic acid isopropyl ester2-Butenoic acid 1-methylethyl ester
AI3-24668SCHEMBL690461SCHEMBL6231320SCHEMBL27535739AABBHSMFGKYLKE-UHFFFAOYSA-NAKOS017265335DB-209004NS00054435

Database identifiers

CAS
18060-77-0
PubChem CID
86651
DTXSID
DTXSID00863738
EC Number
241-970-7

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
9

Physicochemical properties

Boiling point
143 ℃ · 143℃
Density
0.905 · 0.905
Flash point
40 ℃ · 40℃
LogP
2.16 · 2.160 (est)
FDA UNII
7 NNM0226D · 07NNM0226D

Chemistry & industry

Suppliers6 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
上海问彩新材料科技有限公司15721586846 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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