Basic information
- CAS
1745-31-9- Standard SMILES
C=CCOC(=O)CC=C- InChIKey
AAKKKMOPCAFJCX-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- Allyl 3-butenoate
- IUPAC
- prop-2-enyl but-3-enoate
Names & synonyms
allyl 3-butenoateRefChem:554831630-663-71745-31-9prop-2-en-1-yl but-3-enoateallyl vinylacetateNSC97507vinyl acetic acid allyl esterSCHEMBL948033SCHEMBL1208617SCHEMBL3133495DTXSID90294633
Show more names
AAKKKMOPCAFJCX-UHFFFAOYSA-NNSC-97507AKOS024429120
Database identifiers
- CAS
1745-31-9- PubChem CID
- 263159
- DTXSID
DTXSID90294633- EC Number
- 630-663-7
- Nikkaji
- J1.308.203K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Related reactions
2 records
Compound notes
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