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CAS No.: | 938-79-4 |
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Name: | (R)-(-)-2-PHENYLBUTYRIC ACID |
Article Data: | 51 |
Molecular Structure: | |
Formula: | C10H12O2 |
Molecular Weight: | 164.204 |
Synonyms: | Benzeneaceticacid, a-ethyl-, (R)-;Butyric acid,2-phenyl-, (R)-(-)- (8CI);(-)-(R)-2-Phenylbutyric acid;(-)-2-Phenylbutanoicacid;(-)-2-Phenylbutyric acid;(-)-a-Phenylbutyric acid;(2R)-2-Phenylbutanoic acid;(2R)-2-Phenylbutyric acid;(R)-(-)-2-Phenylbutanoic acid;(R)-(-)-2-Phenylbutyric acid;(R)-(-)-a-Ethylphenylacetic acid;(R)-2-Phenylbutanoic acid;(R)-2-Phenylbutyric acid;(R)-a-Ethylbenzeneacetic acid;(2R)-2-phenylbutanoic acid;benzeneacetic acid, α-ethyl-, (alphaR)-; |
Density: | 1.09 g/cm3 |
Boiling Point: | 272.9 °C at 760 mmHg |
Flash Point: | 170.2 °C |
Appearance: | clear colorless liquid |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 23-36 |
PSA: | 37.30000 |
LogP: | 2.26480 |
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The Benzeneacetic acid, a-ethyl-, (aR)-, with the CAS registry number 938-79-4, has the systematic name of (2R)-2-phenylbutanoic acid. It is a kind of clear colorless liquid, and belongs to the following product categories: Carboxylic Acids; Chiral Building Blocks; Organic Building Blocks. And the molecular formula of the chemical is C10H12O2.
The characteristics of Benzeneacetic acid, a-ethyl-, (aR)- are as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 2.49; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.78; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 46.63 cm3; (15)Molar Volume: 150.6 cm3; (16)Polarizability: 18.48×10-24cm3; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.09 g/cm3; (19)Flash Point: 170.2 °C; (20)Enthalpy of Vaporization: 54.01 kJ/mol; (21)Boiling Point: 272.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00288 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and you should not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@@H](c1ccccc1)CC
(2)InChI: InChI=1/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)/t9-/m1/s1
(3)InChIKey: OFJWFSNDPCAWDK-SECBINFHBB