2-Hydroxycyclohexanecarboxylic acid
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2-Hydroxycyclohexanecarboxylic acid
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CAS No:
609-69-8
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Formula:
C7H12O3
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Chemical Name:
2-Hydroxycyclohexanecarboxylic acid
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Synonyms:
Cyclohexanecarboxylic acid,2-hydroxy-;2-Hydroxycyclohexanecarboxylic acid;Cyclohexanol-2-carboxylic acid;Hexahydrosalicylic acid
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CAS No:
Description
2-hydroxycyclohexanecarboxylic acid is a hydroxy monocarboxylic acid. It derives from a cyclohexanecarboxylic acid.
Safety Information
P280, P305+P351+P338, P310
H318
|Danger|H318 (95%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory.|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-Hydroxycyclohexanecarboxylic acid Use and Manufacturing
In the first step, 9.8 kg (100 mol) of epoxycyclohexane was dissolved in 50 L of NMP.2.88 kg (120 mol) of Mg powder was added under stirring, and the temperature was lowered to -15 ° C to -5 ° C.19.5 kg (180 mol) of TMSCl was added while introducing carbon dioxide gas into the solution.After 10 hours of reaction, After the reaction is completed, the temperature is below 0 °C.The filtrate was added to a 1N hydrochloric acid solution.Adjust pH=3-4, extract ethyl acetate 80L twice, After washing with a half-saturated saline solution, the organic layer was distilled to obtain 13.8 kg (95.8 mol) of 2-hydroxycyclohexanecarboxylic acid.The yield is 95.8percent, and the ratio of cis is inversely 2.3:7.7;
Computed Properties
Molecular Weight:144.17
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:144.078644241
Monoisotopic Mass:144.078644241
Topological Polar Surface Area:57.5
Heavy Atom Count:10
Complexity:133
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Hydroxycyclohexanecarboxylic acid
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