Ethyl 3-(o-tolyl)propanoate
Basic information
- CAS
104750-61-0- Standard SMILES
CCOC(=O)CCc1ccccc1C- InChIKey
UPWUNVDPYBAGNH-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- Ethyl 3-(o-tolyl)propanoate
- IUPAC
- ethyl 3-(2-methylphenyl)propanoate
- English name
- 3-o-Tolyl-propionic acid ethyl ester
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
Ethyl 3-(o-tolyl)propanoate104750-61-0ethyl 3-(2-methylphenyl)propanoate3-O-TOLYL-PROPIONIC ACID ETHYL ESTEREthyl3-(o-tolyl)propanoateSCHEMBL13948404DTXSID10542744MFCD07772954AKOS0116508173-(o-tolyl)-propionic acid ethyl esterE83944F852114
Show more names
Ethyl 2-methylbenzenepropanoateethyl 3-(2-methylphenyl)propionateBenzenepropanoic acid, 2-Methyl-, ethyl ester
Database identifiers
- CAS
104750-61-0- PubChem CID
- 13516004
- DTXSID
DTXSID10542744- Nikkaji
- J2.224.085D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 258 · 258-263 °C
- Density
- 1.003 · 1.003±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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