Basic information
- CAS
54056-51-8- Standard SMILES
CCCCOC(=O)C=C(C)C- InChIKey
IJZWZSGPEJOCHI-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- Butyl 3-methyl-2-butenoate
- IUPAC
- butyl 3-methylbut-2-enoate
- English name
- butyl 3-methyl-2-butenoate
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
Butyl 3-methyl-2-butenoate54056-51-82-Butenoic acid, 3-methyl-, butyl esterEINECS 258-939-9AI3-33553DTXSID90202379RefChem:571661DTXCID40124870258-939-9butyl 3-methylbut-2-enoateButyl senecioate3-Methyl-2-butenoic acid, butyl ester
Show more names
3-Methyl-2-butenoic acid butyl ester
Senecioic acid, butyl esterSCHEMBL294014Butyl 3-methyl-2-butenoate #Butyl beta,beta-dimethylacrylateWX95P3767JDB-243181NS00032932EN300-2167530
Database identifiers
- CAS
54056-51-8- PubChem CID
- 104679
- DTXSID
DTXSID90202379- UNII
- WX95P3767J
- EC Number
- 258-939-9
- Nikkaji
- J279.569H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 97 °C · 97 °C(Press: 25 Torr)
- Density
- 0.917 g/cm3 · 0.917 g/cm3
- LogP
- 3.244 · 3.244 (est)
- FDA UNII
- 95 P3767J · WX95P3767J
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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