Basic information
- CAS
4195-88-4- Standard SMILES
CCCCOC(=O)CCOC- InChIKey
RRIRSNXZGJWTQM-UHFFFAOYSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Names & identifiers
- Preferred name
- Butyl 3-methoxypropionate
- IUPAC
- butyl 3-methoxypropanoate
- English name
- butyl 3-methoxypropionate
- Molecular formula
- C8H16O3
- Molecular weight
- 160.21
Names & synonyms
Butyl 3-methoxypropionate4195-88-4butyl 3-methoxypropanoateNSC-406485Propanoic acid, 3-methoxy-, butyl esterEINECS 224-078-2AI3-032425KD98Q3SUYSCHEMBL447302SCHEMBL7149171DTXSID30194709RRIRSNXZGJWTQM-UHFFFAOYSA-N
Show more names
3-Methoxypropanoic acid butyl ester
3-methoxy-propanoic acid butyl ester3-Methoxy-propionic acid butyl esterNSC406485beta-Methoxypropionic acid butyl esterAKOS017331318NSC 406485NS00031073
Database identifiers
- CAS
4195-88-4- PubChem CID
- 77860
- DTXSID
DTXSID30194709- UNII
- 5KD98Q3SUY
- EC Number
- 224-078-2
- Nikkaji
- J191.521E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 102
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 226.12 °C · 226.12°C (rough estimate)
- Density
- 1.0227 · 1.0227 (rough estimate)
- refractive index
- 1.437 · 1.4370 (estimate)
- Water Solubility
- 9.8 g/L · 9.80g/L(25 ºC)
- LogP
- 1.591 · 1.591 (est)
- FDA UNII
- 5 KD98Q3SUY · 5KD98Q3SUY
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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