(-)-2-Phenylbutyric acid
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(-)-2-Phenylbutyric acid
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CAS No:
938-79-4
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Formula:
C10H12O2
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Chemical Name:
(-)-2-Phenylbutyric acid
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Synonyms:
Benzeneacetic acid,α-ethyl-,(αR)-;Butyric acid,2-phenyl-,(R)-(-)-;Benzeneacetic acid,α-ethyl-,(R)-;(αR)-α-Ethylbenzeneacetic acid;(R)-(-)-α-Ethylphenylacetic acid;(-)-2-Phenylbutyric acid;(-)-α-Phenylbutyric acid;(R)-(-)-2-Phenylbutanoic acid;(R)-2-Phenylbutanoic acid;(R)-2-Phenylbutyric acid;(R)-(-)-2-Phenylbutyric acid;(-)-2-Phenylbutanoic acid;(R)-α-Ethylbenzeneacetic acid;(-)-(R)-2-Phenylbutyric acid;(2R)-2-Phenylbutyric acid;(2R)-2-Phenylbutanoic acid;(2R)-2-Phenylbutanoic acid;(r)-2-Phenylbutanoic acid;(R)-(-)-2-Phenylbutyric acid
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CAS No:
Description
clear colorless liquid
(R)-(-)-2-Phenylbutyric Acid, is the metabolite of Butamirate, which is a novel antitussive drug.
(-)-2-Phenylbutyric acid Basic Attributes
164.20100
164.20
618-983-5
1238B41M1H
DTXSID50354863
2916399090
Characteristics
37.30000
2.26480
clear colorless liquid
1.055 g/mL at 25 °C(lit.)
47.5 °C
102-104 °C0.4 mm Hg(lit.)
>230 °F
n20/D 1.516
Safety Information
NONH for all modes of transport
3
R22
S23-S36
Xn: Harmful;
P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:164.20
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:148
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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