Basic information
- CAS
94022-04-5- Standard SMILES
CCCCOC(=O)COC(=O)CCC- InChIKey
HPIYZRUOQOGMEY-UHFFFAOYSA-N- Molecular formula
- C10H18O4
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.12050905
Names & identifiers
- Preferred name
- Butanoic acid, 2-butoxy-2-oxoethyl ester
- IUPAC
- (2-butoxy-2-oxoethyl) butanoate
- English name
- 2-butoxy-2-oxoethyl butyrate
- Molecular formula
- C10H18O4
- Molecular weight
- 202.25
Names & synonyms
Butanoic acid, 2-butoxy-2-oxoethyl esterRefChem:5713662-Butoxy-2-oxoethyl butyrate94022-04-5(2-butoxy-2-oxoethyl) butanoateButyl butyrylglycollateSE76HL6VQC2-BUTOXY-2-OXOETHYL BUTANOATENSC-13523NSC13523EINECS 301-496-4UNII-SE76HL6VQC
Show more names
BUTYLBUTYRYLGLYCOLLATEbutyl butyryl glycolateButyric acid 2-butoxy-2-oxoethyl ester
DTXSID60869175HPIYZRUOQOGMEY-UHFFFAOYSA-NNSC 13523NS00064267
Database identifiers
- CAS
94022-04-5- PubChem CID
- 95007
- DTXSID
DTXSID60869175- UNII
- SE76HL6VQC
- EC Number
- 301-496-4
- Nikkaji
- J367.950K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- LogP
- 2.562 · 2.562 (est)
- FDA UNII
- 76 HL6VQC · SE76HL6VQC
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationButanoic acid, 2-butoxy-2-oxoethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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