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29678-81-7

Basic Information
CAS No.: 29678-81-7
Name: Benzenebutanoic acid, a-hydroxy-, (aR)-
Molecular Structure:
Molecular Structure of 29678-81-7 (Benzenebutanoic acid, a-hydroxy-, (aR)-)
Formula: C10H12O3
Molecular Weight: 180.20
Synonyms: Benzenebutanoicacid, a-hydroxy-, (R)-;Butyric acid,2-hydroxy-4-phenyl-, D-(-)- (8CI);(2R)-2-Hydroxy-4-phenylbutanoic acid;(R)-(-)-2-Hydroxy-4-phenylbutyric acid;(R)-2-Hydroxy-4-phenylbutanoic acid;(R)-2-Hydroxy-4-phenylbutyric acid;D-(-)-Benzyllactic acid;(R)-2-hydroxy-4-phenylbutyrate;
EINECS:
Density: 1.219 g/cm3
Melting Point: 114-117 °C(lit.)
Boiling Point: 356.9 °C at 760 mmHg
Flash Point: 183.9 °C
Solubility:
Appearance:
Hazard Symbols: FlammableF
Risk Codes:
Safety: 22-24/25
Transport Information:
PSA: 57.53000
LogP: 1.06470
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  • (R)-2-Hydroxy-4-phenylbutyric acid,29678-81-7

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  • Benzenebutanoic acid, a-hydroxy-, (aR)-

  • Casno:

    29678-81-7

    Benzenebutanoic acid, a-hydroxy-, (aR)-

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    Comply with CP,JP,EP,US GradeAppearance:White Solid Storage:Stored under room temperature in cool and dry place Package:In 25KG paper or plastic drums Application:Used as pharmaceutical Intermeidate Transportation:Shipped as non- dangerous chemicals

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  • 29678-81-7

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  • (R)-2-Hydroxy-4-phenylbutyric acid cas  29678-81-7

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    29678-81-7

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  • (R)-2-hydroxy-4-phenylbutyric acid

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    29678-81-7

    (R)-2-hydroxy-4-phenylbutyric acid

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  • (R)-2-Hydroxy-4-phenylbutyric acid

  • Casno:

    29678-81-7

    (R)-2-Hydroxy-4-phenylbutyric acid

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Specification

The Benzenebutanoic acid, α-hydroxy-, (αR)- is an organic compound with the formula C10H12O3. The systematic name of this chemical is (2R)-2-hydroxy-4-phenylbutanoic acid and the CAS registry number is 29678-81-7. The product's categories are Chiral; Chiral Compound; Carboxylic Acids; Chiral Building Blocks; Organic Building Blocks. When use it, people should not breathe dust and avoid contact with skin and eyes. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of Benzenebutanoic acid, α-hydroxy-, (αR)- can be summarized as: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.55; (4)ACD/LogD (pH 7.4): -1.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.23; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 48.12 cm3; (15)Molar Volume: 147.7 cm3; (16)Polarizability: 19.07×10-24 cm3; (17)Surface Tension: 53.3 dyne/cm; (18)Density: 1.219 g/cm3; (19)Flash Point: 183.9 °C; (20)Enthalpy of Vaporization: 63.55 kJ/mol; (21)Boiling Point: 356.9 °C at 760 mmHg; (22)Vapour Pressure: 1.03E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(O)[C@H](O)CCc1ccccc1
2. InChI:InChI=1/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m1/s1
3. InChIKey:JNJCEALGCZSIGB-SECBINFHBW
4. Std. InChI:InChI=1S/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m1/s1
5. Std. InChIKey:JNJCEALGCZSIGB-SECBINFHSA-N