2-Propenoic acid, 2-phenylethyl ester
Basic information
- CAS
3530-36-7- Standard SMILES
C=CC(=O)OCCc1ccccc1- InChIKey
HPSGLFKWHYAKSF-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-phenylethyl ester
- IUPAC
- 2-phenylethyl prop-2-enoate
- English name
- 2-Phenylethyl acrylate
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
3530-36-72-Propenoic acid, 2-phenylethyl esterEINECS 222-562-8AI3-03844DTXSID1063061Acrylic acid, 2-phenylethyl esterRefChem:89274DTXCID7038991HPSGLFKWHYAKSF-UHFFFAOYSA-N2-Phenylethyl acrylate2-phenylethyl prop-2-enoatePhenethyl acrylate
Show more names
Acrylic acid phenethyl ester2-Phenylethyl acrylate,min. 92%acrylic acid 2-phenylethyl ester2-phenylethyl propyleneacidesterPropenoic acid 2-phenylethyl ester3530-36-7 2-Propenoic acid,2-phenylethyl ester
2-Propenoic acid,2-phenylethyl esterMFCD00080620Phenethyl alcohol, acrylateMFCD280536152-Phenylethyl acrylate #6UAY7Q7GSKSCHEMBL40718Acrylic acid, phenethyl ester
Database identifiers
- CAS
3530-36-7- PubChem CID
- 77066
- DTXSID
DTXSID1063061- UNII
- 6UAY7Q7GSK
- EC Number
- 222-562-8
- Nikkaji
- J216.178H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 104 · 104~106℃/5mm
- Boiling point
- 104 · 104-105°C 5mm
- Density
- 1.0369 g/cm3 · 1.0369 g/cm3
- refractive index
- 1.5111 · 1.5111 (589.3 nm 20℃)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Colorless to light yellow Liquid
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 2-phenylethyl ester (3530-36-7)
- 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
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2-Propenoic acid, 2-phenylethyl ester
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenoic acid, 2-phenylethyl ester: ACTIVE
Suppliers
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Related reactions
1 records
Compound notes
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