Butyl but-2-enoate
Basic information
- CAS
7299-91-4- Standard SMILES
CC=CC(=O)OCCCC- InChIKey
GWCTUKHUBWMAMI-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- Butyl but-2-enoate
- IUPAC
- butyl but-2-enoate
- English name
- Butyl crotonate
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
BUTYL BUT-2-ENOATEbutyl (E)-2-crotonateCrotonicacidbutylester; 97%but-2-enoic acid butyl esterSCHEMBL109751SCHEMBL7756719SCHEMBL15751667SCHEMBL27203937SCHEMBL27869533NS00044552N-BUTYLCROTONATEButyl crotonate
Show more names
butyl2-butenoateButyl 2-butenoateBUTYL T2 BUTENOATEButyl Crotonate >Butyl (E)-but-2-enoateButyl (2E)-2-butenoate2-butenoicacid,butylesterCROTONIC ACID BUTYL ESTER
Database identifiers
- CAS
7299-91-4- PubChem CID
- 23726
- DTXSID
DTXSID30864036
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 180 °C · 180 °C
- Density
- 0.9 · 0.90
- refractive index
- 1.432 · 1.4320-1.4330
- Flash point
- 64 °C · 64 °C
- form
- clear liquid
- color
- Colorless to Almost colorless
- InChI
- InChI=1S/C8H14O2/c1-3-5-7-10-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3
- InChIKey
- GWCTUKHUBWMAMI-UHFFFAOYSA-N
- SMILES
- C(OCCCC)(=O)C=CC
- LogP
- 2.91 · 2.910 (est)
- FDA UNII
- 9 A7JVP79T · K9A7JVP79T
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501
- RTECS
- 3200000 · GQ3200000
- HS Code
- 2916199590 · 2916199590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- GQ3200000
- hs_code
- 2916199590
- Signal word
- Warning
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501
Suppliers
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Related reactions
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Compound notes
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