Ethyl 3-phenylhydracrylate, (S)-
Basic information
- CAS
33401-74-0- Standard SMILES
CCOC(=O)C[C@H](O)c1ccccc1- InChIKey
DVIBDQWVFHDBOP-JTQLQIEISA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- Ethyl 3-phenylhydracrylate, (S)-
- IUPAC
- ethyl (3S)-3-hydroxy-3-phenylpropanoate
- English name
- (-)-Ethyl (S)-3-hydroxy-3-phenylpropionate
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
33401-74-0ethyl (3S)-3-hydroxy-3-phenylpropanoateETHYL (S)-3-HYDROXY-3-PHENYLPROPANOATEethyl (S)-3-hydroxy-3-phenylpropionate3S4J5C6Q4ZEthyl (S)-3-phenylhydracrylateEthyl 3-phenylhydracrylate, (S)-Ethyl 3-phenylhydracrylate, (-)-(3S)-3-Hydroxy-3-phenylpropionic acid ethyl esterHydracrylic acid, 3-phenyl-, ethyl ester, (S)-BENZENEPROPANOIC ACID, .BETA.-HYDROXY-, ETHYL ESTER, (.BETA.S)-Benzenepropanoic acid, beta-hydroxy-, ethyl ester, (betaS)-
Show more names
ethyl (3R)-3-hydroxy-3-phenylpropionate(S)-(-)-ETHYL-3-HYDROXY 3-PHENYLPROPIONATE(-)-Ethyl (S)-3-hydroxy-3-phenylpropionate,98%
RefChem:595081877-864-8(S)-Ethyl 3-Hydroxy-3-phenylpropanoate(-)-Ethyl (S)-3-hydroxy-3-phenylpropionateMFCD00216721(S)-Ethyl3-Hydroxy-3-phenylpropanoate(S)-ethyl 3-phenylhydracrylateUNII-3S4J5C6Q4Z
Database identifiers
- CAS
33401-74-0- PubChem CID
- 853697
- UNII
- 3S4J5C6Q4Z
- EC Number
- 877-864-8
- Nikkaji
- J61.921C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Boiling point
- 195 °C · 195 °C(Press: 11 Torr)
- Density
- 1.51 g/ml · 1.51g/ml
- refractive index
- 20 · n20/D 1.510
- storage temp.
- 2 · 2-8°C
- pka
- 13.57 · 13.57±0.20(Predicted)
- FDA UNII
- 3 S4J5C6Q4Z · 3S4J5C6Q4Z
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29155000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Suppliers
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Related reactions
2 records
Compound notes
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