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| CAS No.: | 72656-47-4 |
|---|---|
| Name: | (+)-ETHYL (R)-3-HYDROXY-3-PHENYLPROPIONATE |
| Article Data: | 142 |
| Molecular Structure: | |
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| Formula: | C11H14O3 |
| Molecular Weight: | 194.23 |
| Synonyms: | Benzenepropanoicacid, b-hydroxy-, ethyl ester, (R)-;(3R)-3-Hydroxy-3-phenylpropanoic acid ethyl ester;Ethyl (3R)-3-hydroxy-3-phenylpropanoate; |
| Density: | 1.119 g/cm3 |
| Boiling Point: | 315.296 °C at 760 mmHg |
| Flash Point: | 132.598 °C |
| Safety: | 23-24/25 |
| PSA: | 46.53000 |
| LogP: | 1.67320 |
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Specification
The Ethyl (R)-3-hydroxy-3-phenylpropionate, with the CAS registry number 72656-47-4, is also known as (3R)-3-Hydroxy-3-phenylpropanoic acid ethyl ester. It belongs to the product categories of Chiral Building Blocks; Esters; Organic Building Blocks. This chemical's molecular formula is C11H14O3 and molecular weight is 194.23. What's more, its systematic name is Ethyl (3R)-3-hydroxy-3-phenylpropanoate.
Physical properties of Ethyl (R)-3-hydroxy-3-phenylpropionate are: (1)ACD/LogP: 1.462; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.61; (6)ACD/BCF (pH 7.4): 7.61; (7)ACD/KOC (pH 5.5): 148.77; (8)ACD/KOC (pH 7.4): 148.77; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 53.013 cm3; (15)Molar Volume: 173.507 cm3; (16)Polarizability: 21.016×10-24cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.119 g/cm3; (19)Flash Point: 132.598 °C; (20)Enthalpy of Vaporization: 58.757 kJ/mol; (21)Boiling Point: 315.296 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C[C@H](c1ccccc1)O
(2)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-/m1/s1
(3)Std. InChIKey: DVIBDQWVFHDBOP-SNVBAGLBSA-N