Methyl 2-methylbut-2-enoate

HCID 23104
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Basic information

CAS
41725-90-0
Standard SMILES
CC=C(C)C(=O)OC
InChIKey
YYJWBYNQJLBIGS-UHFFFAOYSA-N
Molecular formula
C6H10O2
Average molar mass
114.14 g/mol
Monoisotopic mass
114.06807956

Names & identifiers

Preferred name
Methyl 2-methylbut-2-enoate
IUPAC
methyl 2-methylbut-2-enoate
English name
methyl 2-methyl-2-butenoate
Molecular formula
C6H10O2
Molecular weight
114.14

Names & synonyms

methyl 2-methylbut-2-enoateDTXSID20863917RefChem:1089345DTXCID40812487methyl (2Z)-2-methylbut-2-enoateSCHEMBL3063882-Butenoic acid, 2-methyl-, methyl ester, (2Z)-SCHEMBL6971563SCHEMBL7756636SCHEMBL93758812-Methyl-2-butenoic acid methyl esterDB-053406
Show more names
methyl 2-methyl-2-butenoate2-Butenoic acid, 2-Methyl-, Methyl ester
DB-182395NS00088633

Database identifiers

CAS
41725-90-0
PubChem CID
23104
DTXSID
DTXSID20863917
EC Number
255-518-1

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
8

Physicochemical properties

form
liquid
InChI
1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+
InChIKey
YYJWBYNQJLBIGS-SNAWJCMRSA-N
SMILES
COC(=O)\C(C)=C\C
LogP
1.715 · 1.715 (est)
UNSPSC Code
12352200 · 12352200

Safety & regulation

Safety data

wgk
WGK 2
Signal word
Warning
Symbol(GHS)
GHS02
Storage Class
3 - Flammable liquids
Hazard statements
H226
Hazard Classifications
Flam. Liq. 3

Chemistry & industry

Suppliers4 total

Aladdin Scientific[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
河南科弘生物科技有限公司0371-55969461 19139748274 · [email protected]

Additional notes

DefinitionChEBI: Methyl tiglate is a fatty acid ester.

Related reactions

1 records
New reaction record

Compound notes

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