Basic information
- CAS
68141-12-8- Standard SMILES
CCCOC(=O)C=Cc1ccc(OC)cc1- InChIKey
WZXKPNYMUZGZIA-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-(4-methoxyphenyl)-, propyl ester
- IUPAC
- propyl 3-(4-methoxyphenyl)prop-2-enoate
- English name
- propyl p-methoxycinnamate
- Molecular formula
- C13H16O3
- Molecular weight
- 220.26
Names & synonyms
2-Propenoic acid, 3-(4-methoxyphenyl)-, propyl esterDTXSID4071186RefChem:482060DTXCID5045621Propyl 3-(4-methoxyphenyl)acrylatePropyl3-(4-methoxyphenyl)acrylatepropyl-p-methoxycinnamateSCHEMBL39355AKOS017265337DB-344017NSC 408330Solpotrex I
Show more names
Solprotex IIIPropyl-p-methoxycinnamatPropyl 4-methoxycinnamatepropyl p-methoxycinnamateN-PROPYL-PARA-METHOXYCINNAMATE3-(4-Methoxyphenyl)propenoic acid propyl ester3-(4-methoxyphenyl)-2-propenoic aci propyl ester
Database identifiers
- CAS
68141-12-8- PubChem CID
- 101366
- DTXSID
DTXSID4071186
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
Suppliers1 total
BOC Sciences[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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