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CAS No.: | 36567-72-3 |
---|---|
Name: | (S)-3-HYDROXY-3-PHENYLPROPANOIC ACID |
Article Data: | 36 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | Benzenepropanoicacid, β-hydroxy-, (S)-;(3S)-3-Hydroxy-3-phenylpropanoic acid;(S)-3-Hydroxy-3-phenylpropanoic acid;(βS)-b-Hydroxy-Benzenepropanoic acid; |
EINECS: | -0 |
Density: | 1.262 g/cm3 |
Melting Point: | 117-120 °C |
Boiling Point: | 329.4 °C at 760 mmHg |
Flash Point: | 167.2 °C |
Appearance: | White to almost white needle-like crystals |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 57.53000 |
LogP: | 1.19470 |
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The Benzenepropanoic acid, β-hydroxy-, (βS)- is an organic compound with the formula C9H10O3. The systematic name of this chemical is (3S)-3-Hydroxy-3-phenylpropanoic acid. With the CAS registry number 36567-72-3, it is also named as (S)-3-Hydroxy-3-phenylpropionic acid. The categories of the product are Carboxylic Acids; Chiral Building Blocks; Organic Building Blocks. Besides, it should be stored in a cool, sealed, dry and well-ventilated place. And it is white to almost white needle-like crystals.
The physical properties of Benzenepropanoic acid, β-hydroxy-, (βS)- are: (1)ACD/LogP: 0.29; (2)ACD/LogD (pH 5.5): -1.07; (3)ACD/LogD (pH 7.4): -2.84; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.49; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 43.53 cm3; (14)Molar Volume: 131.6 cm3; (15)Polarizability: 17.25×10-24 cm3; (16)Surface Tension: 56.4 dyne/cm; (17)Density: 1.262 g/cm3; (18)Flash Point: 167.2 °C; (19)Enthalpy of Vaporization: 60.37 kJ/mol; (20)Boiling Point: 329.4 °C at 760 mmHg; (21)Vapour Pressure: 7.14E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@H](O)c1ccccc1
(2)InChI: InChI=1/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
(3)InChIKey: AYOLELPCNDVZKZ-QMMMGPOBBM
(4)Std. InChI: InChI=1S/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
(5)Std. InChIKey: AYOLELPCNDVZKZ-QMMMGPOBSA-N