Ethyl (S)-(-)-3-hydroxy-3-phenylpropionate supplier

Name
(-)-ETHYL (S)-3-HYDROXY-3-PHENYLPROPIONATE
EINECS 222-269-5
CAS No. 33401-74-0
Article Data169
CAS DataBase
Density 1.119 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄O₃
Boiling Point 315.3 °C at 760 mmHg
Molecular Weight 194.23
Flash Point 132.6 °C
Transport Information
Appearance Clear colorless liquid
Safety 24/25
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms Benzenepropanoicacid, b-hydroxy-, ethyl ester, (S)-;Hydracrylic acid, 3-phenyl-, ethyl ester, (S)- (8CI);(3S)-3-Hydroxy-3-phenylpropionicacid ethyl ester;(S)-(-)-Ethyl 3-hydroxy-3-phenylpropanoate;Ethyl(3S)-3-hydroxy-3-phenylpropanoate;Ethyl (S)-3-hydroxy-3-phenylpropanoate;Ethyl (S)-3-hydroxy-3-phenylpropionate;Ethyl (S)-3-phenylhydracrylate;
PSA 46.53000
LogP 1.67320

Ethyl (S)-(-)-3-hydroxy-3-phenylpropionate Specification

The Ethyl (S)-(-)-3-hydroxy-3-phenylpropionate is an organic compound with the formula C₁₁H₁₄O₃. The IUPAC name of this chemical is ethyl (3S)-3-hydroxy-3-phenylpropanoate. With the CAS registry number 33401-74-0, it is also named as benzenepropanoic acid, β-hydroxy-, ethyl ester, (betaS)-. The product's categories are Chiral Building Blocks; Esters; Organic Building Blocks. It is clear colorless liquid which should avoid contact with skin and eyes. Additionally, this chemical must be stored at normal temperature and avoided direct sunshine.

The other characteristics of Ethyl (S)-(-)-3-hydroxy-3-phenylpropionate can be summarized as: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 35.53 Å²; (7)Index of Refraction: 1.523; (8)Molar Refractivity: 53.01 cm³; (9)Molar Volume: 173.5 cm³; (10)Polarizability: 21.01×10^-24cm³; (11)Surface Tension: 42.6 dyne/cm; (12)Enthalpy of Vaporization: 58.76 kJ/mol; (13)Boiling Point: 315.3 °C at 760 mmHg; (14)Vapour Pressure: 0.000186 mmHg at 25°C; (15)Rotatable Bond Count: 5; (16)Exact Mass: 194.094294; (17)MonoIsotopic Mass: 194.094294; (18)Topological Polar Surface Area: 46.5; (19)Heavy Atom Count: 14; (20)Complexity: 173; (21)Defined Atom StereoCenter Count: 1.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCC)C[C@H](O)c1ccccc1
2. InChI:InChI=1/C11H14O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3/t10-/m0/s1
3. InChIKey:DVIBDQWVFHDBOP-JTQLQIEIBB
4. Std. InChI:InChI=1S/C11H14O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3/t10-/m0/s1
5. Std. InChIKey:DVIBDQWVFHDBOP-JTQLQIEISA-N

Product Name

(-)-ETHYL (S)-3-HYDROXY-3-PHENYLPROPIONATE

Ethyl (S)-(-)-3-hydroxy-3-phenylpropionate Specification

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