Basic information
- CAS
591-34-4- Standard SMILES
CCC(=O)OC(C)CC- InChIKey
VPSLGSSVPWVZFG-UHFFFAOYSA-N- Molecular formula
- C7H14O2
- Average molar mass
- 130.18 g/mol
- Monoisotopic mass
- 130.09937969
Names & identifiers
- Preferred name
- Propanoic acid, 1-methylpropyl ester
- IUPAC
- butan-2-yl propanoate
- English name
- sec-Butyl propanoate.
- Molecular formula
- C7H14O2
- Molecular weight
- 130.18
Names & synonyms
Propanoic acid, 1-methylpropyl ester591-34-4Propionic acid, sec-butyl ester1-Methylpropyl propanoatesec-Butyl propionateSec butyl PropionateRefChem:374591611-802-0VPSLGSSVPWVZFG-UHFFFAOYSA-Nbutan-2-yl propanoatemethylpropyl propanoateSCHEMBL128581
Show more names
*Ethyl Acetate Impurity 252Propionic acid sec-butyl esterPropionic acid butan-2-yl esterPropanoic acid 1-methylpropyl esterPropionic acid 1-methylpropyl esterPropionic acid (1-methylpropyl) ester
SCHEMBL130715SCHEMBL1001142SCHEMBL1362099SCHEMBL1585397SCHEMBL4436649SCHEMBL27986838DTXSID30871780SBB061103
Database identifiers
- CAS
591-34-4- PubChem CID
- 136376
- DTXSID
DTXSID30871780- EC Number
- 611-802-0
- Nikkaji
- J95.900F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 88.9
Physicochemical properties
- Melting point
- -80.46 °C · -80.46°C (estimate)
- Boiling point
- 133.05 °C · 133.05°C
- Density
- 0.8613 · 0.8613
- refractive index
- 1.3952 · 1.3952
- Stability
- Stability Flammable. Incompatible with strong oxidizing agents.
- LogP
- 2.158 · 2.158 (est)
- CAS DataBase Reference
- 591 · 591-34-4
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
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Flammable liquid - category 3
Flam. Liq. 3
Chemistry & industry
Suppliers5 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
南通合润生物科技有限公司18362409333 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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