(±)-Cyclohexylphenylglycolic acid
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(±)-Cyclohexylphenylglycolic acid
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CAS No:
4335-77-7
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Formula:
C14H18O3
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Chemical Name:
(±)-Cyclohexylphenylglycolic acid
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Synonyms:
Benzeneacetic acid,α-cyclohexyl-α-hydroxy-;Cyclohexaneglycolic acid,α-phenyl-;α-Cyclohexyl-α-hydroxybenzeneacetic acid;α-Phenylcyclohexylglycolic acid;α-Cyclohexyl-α-phenylglycolic acid;Hexahydrobenzilic acid;2-Cyclohexyl-2-hydroxy-2-phenylacetic acid;RCC 32;(±)-Cyclohexylphenylglycolic acid;Cyclohexylphenylglycolic acid;NSC 28945;NSC 93969;(Cyclohexyl)(hydroxy)-2-(phenyl)acetic acid;α-Cyclohexyl-DL-mandelic acid;CPGA;Cyclohexylhydroxyphenylacetic acid;α-Cyclohexylmandelic acid;50896-04-3
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CAS No:
Safety Information
UN3082 9/PG 3
3
R22:Harmful if swallowed. R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . R67:Vapors may cause drowsiness and dizziness. R65:Harmful: May cause lung damage if swallowed. R38:Irritating to the skin. R
S60-S61-S62
TF1410000
Xn,N,F
P261-P280-P305 + P351 + P338
H315-H318-H335
|Danger|H315 (97.67%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(±)-Cyclohexylphenylglycolic acid Use and Manufacturing
To a solution of cyclohexyl-hydroxy-phenylacetic acid (1.04 g, 3.96 mmol) in methanol (20 mL) was added a 1 N NaOH (8 mL). The reaction mixture was allowed to warm to 80 Step 4
An intermediate in the synthesis of oxybutynin (O868525). intermediate for Oxybutynin HCl, Oxyphenonium Bromide
Computed Properties
Molecular Weight:234.29
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:234.125594432
Monoisotopic Mass:234.125594432
Topological Polar Surface Area:57.5
Heavy Atom Count:17
Complexity:265
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(±)-Cyclohexylphenylglycolic acid
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