Propanoic acid, 2-methyl-, 3-methoxybutyl ester
Basic information
- CAS
72785-13-8- Standard SMILES
COC(C)CCOC(=O)C(C)C- InChIKey
IBGVCUQZCCGGCH-UHFFFAOYSA-N- Molecular formula
- C9H18O3
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.12559443
Names & identifiers
- Preferred name
- Propanoic acid, 2-methyl-, 3-methoxybutyl ester
- IUPAC
- 3-methoxybutyl 2-methylpropanoate
- English name
- 3-methoxybutyl isobutyrate
- Molecular formula
- C9H18O3
- Molecular weight
- 174.23742
Names & synonyms
72785-13-8EINECS 276-834-6Propanoic acid, 2-methyl-, 3-methoxybutyl esterDTXSID50868172NSC 15654RefChem:869302DTXCID008163053-Methoxybutyl isobutyrate3-methoxybutyl 2-methylpropanoateIBGVCUQZCCGGCH-UHFFFAOYSA-NNSC15654NSC-15654
Show more names
2-Methylpropanoic acid 3-methoxybutyl esterPropanoic acid,2-methyl-, 3-methoxybutyl ester
Propanoic acid, 3-methoxybutyl esterNS00062089
Database identifiers
- CAS
72785-13-8- PubChem CID
- 95502
- DTXSID
DTXSID50868172- EC Number
- 276-834-6
- Nikkaji
- J318.826D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- EPA Substance Registry System
- 3 · 3-Methoxybutyl isobutyrate (72785-13-8)
- 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.
Hazard information
Regulatory InformationChemical: Propanoic acid, 2-methyl-, 3-methoxybutyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 2-methyl-, 3-methoxybutyl ester: INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…