Basic information
- CAS
13025-07-5- Standard SMILES
C=CC(=O)OCCCCOC(=O)C(=O)CC- InChIKey
OQINFDKYEZTQMU-UHFFFAOYSA-N- Molecular formula
- C11H16O5
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.09977361
Names & identifiers
- Preferred name
- 4-((1-Oxoallyl)oxy)butyl acetoacetate
- IUPAC
- 4-prop-2-enoyloxybutyl 2-oxobutanoate
Names & synonyms
13025-07-5EINECS 235-885-44-[(1-Oxoallyl)oxy]butyl acetoacetate4-((1-Oxoallyl)oxy)butyl acetoacetateRefChem:286271235-885-44-(acryloyloxy)butyl 2-oxobutanoate4-prop-2-enoyloxybutyl 2-oxobutanoate958818-35-4SCHEMBL5471722DTXSID109266464-(acryloyloxy)butyl2-oxobutanoate
Show more names
4-[(Prop-2-enoyl)oxy]butyl 2-oxobutanoate
Database identifiers
- CAS
13025-07-5- PubChem CID
- 83056
- DTXSID
DTXSID10926646- EC Number
- 235-885-4
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
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
This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.
Not Classified
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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