Basic information
- CAS
20279-40-7- Standard SMILES
CC(C)COC(=O)CCC(=O)O- InChIKey
RGTLSFNPTLNPDZ-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920892
Names & identifiers
- Preferred name
- Butanedioic acid, 1-(2-methylpropyl) ester
- IUPAC
- 4-(2-methylpropoxy)-4-oxobutanoic acid
- English name
- Butanedioic acid hydrogen 1-(2-methylpropyl) ester
- Molecular formula
- C8H14O4
- Molecular weight
- 174.19
Names & synonyms
Isobutyl succinate20279-40-7Butanedioic acid, mono(2-methylpropyl) esterButanedioic acid, 1-(2-methylpropyl) esterDTXSID90885126RefChem:570800DTXCID5010245254-(2-methylpropoxy)-4-oxobutanoic acidButanedioic acid hydrogen 1-(2-methylpropyl) esterSCHEMBL846984RGTLSFNPTLNPDZ-UHFFFAOYSA-N
Database identifiers
- CAS
20279-40-7- PubChem CID
- 88451
- DTXSID
DTXSID90885126- Nikkaji
- J422.062E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- LogP
- 1.814 · 1.814 (est)
- EPA Substance Registry System
- Butanedioic acid, mono(2-methylpropyl) ester (20279-40-7)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanedioic acid, 1-(2-methylpropyl) ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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