2-Cyclohexylmandelic acid
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2-Cyclohexylmandelic acid
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CAS No:
4335-77-7
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Formula:
C14H18O3
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Chemical Name:
2-Cyclohexylmandelic acid
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Synonyms:
acidephenylcyclohexylhydroxyacetique;alpha-cyclohexyl-alpha-hydroxy-benzeneaceticaci;alpha-cyclohexyl-alpha-hydroxybenzeneaceticacid;alpha-phenyl-cyclohexaneglycolicaci;alpha-phenylcyclohexaneglycolicacid;ALPHA CYCLOHEXYL MANDELIC ACID ( CAS: );Benzeneacetic acid,α-cyclohexyl-α-hydroxy-;α-Cyclohexylmandelic acid
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CAS No:
Description
White Solid
Alpha-Cyclohexylmandelic acid is a member of benzenes.
This indole alkaloid occurs in the leaves of Lespedeza bicolor var. japonica and, when pure, is a colourless oil. Its MeOH solution, the ultraviolet spectrum exhibits absorption maxima at 223.4, 279 and 291 mJi. The crystalline hydrochloride has m.p. 163-4°C (dec.); the picrate forms long, yellow needles from MeOH, m.p. 160-2°C (dec.) and the styphnate, also yellow needles, has m.p. 170°C (dec.). The structure has been established as 3-(dimethylaminoethyl)-1-methoxyindole.
2-Cyclohexylmandelic acid Basic Attributes
234.29
234.29
224-380-4
93969|28945
White to pale brown
29181990
Characteristics
57.5
3
1.206±0.06 g/cm3(Predicted)
163 °C
135℃/3mm
215.1±19.7 °C
1.574
3.49±0.25(Predicted)
-20°C Freezer
Safety Information
IRRITANT
UN3082 9/PG 3
3
Xi
26-39
GV2770000
Xn,N,F
P261-P280-P305 + P351 + P338
37/38-41
|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.
2-Cyclohexylmandelic 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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