Propyl 4-methoxycinnamate
Basic information
- CAS
68141-12-8- Standard SMILES
CCCOC(=O)/C=C/c1ccc(OC)cc1- InChIKey
WZXKPNYMUZGZIA-RMKNXTFCSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- Propyl 4-methoxycinnamate
- IUPAC
- propyl (E)-3-(4-methoxyphenyl)prop-2-enoate
- English name
- propyl p-methoxycinnamate
- Molecular formula
- C13H16O3
- Molecular weight
- 220.26
Names & synonyms
Propyl p-methoxycinnamatepropyl 4-methoxycinnamate68141-12-8Solpotrex IUNII-S831TY24TUS831TY24TUEINECS 268-833-4NSC-4083303-(4-Methoxyphenyl)-2-propenoic acid, propyl esterPROPYL METHOXYCINNAMATEAI3-05549N-PROPYL-PARA-METHOXYCINNAMATE
Show more names
Solprotex IIIPropyl-p-methoxycinnamatPropyl 3-(4-Methoxyphenyl)acrylate3-(4-Methoxyphenyl)propenoic acid propyl ester3-(4-methoxyphenyl)-2-propenoic aci propyl ester
NSC 408330RefChem:176472propyl (E)-3-(4-methoxyphenyl)prop-2-enoatePropyl3-(4-methoxyphenyl)acrylatepropyl 3-(4-methoxyphenyl)prop-2-enoatepropyl-4-methoxycinnamateSCHEMBL39354WZXKPNYMUZGZIA-RMKNXTFCSA-N
Database identifiers
- CAS
68141-12-8- PubChem CID
- 5385641
- UNII
- S831TY24TU
- EC Number
- 268-833-4
- Nikkaji
- J184.018E、J334.099F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 13 · 13-14℃
- Boiling point
- 340 ℃ · 340℃
- Density
- 1.061 · 1.061
- refractive index
- 1.5706 · 1.5706
- Flash point
- 141 ℃ · 141℃
- LogP
- 3.18 · 3.180 (est)
- FDA UNII
- 831 TY24TU · S831TY24TU
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 3-(4-methoxyphenyl)-, propyl ester (68141-12-8)
- 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: 2-Propenoic acid, 3-(4-methoxyphenyl)-, propyl 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 Information2-Propenoic acid, 3-(4-methoxyphenyl)-, propyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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