Cyclohexanecarboxylic acid
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Cyclohexanecarboxylic acid
structure -
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CAS No:
98-89-5
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Formula:
C7H12O2
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Chemical Name:
Cyclohexanecarboxylic acid
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Synonyms:
Cyclohexanecarboxylic acid;Benzoic acid,hexahydro-;Hexahydrobenzoic acid;Cyclohexanoic acid;Cyclohexylcarboxylic acid;Carboxycyclohexane;Cyclohexylmethanoic acid;NSC 452;NSC 97391;NSC 97393;Cyclohexyl formic acid
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CAS No:
Description
Cyclohexanecarboxylic acid is a Valproate structural analogue with anticonvulsant action[1].
Solid|White solid; rum, raisins, fruity, fatty sweet odour
Cyclohexanecarboxylic acid is a monocarboxylic acid that consists of cyclohexane substituted by a carboxy group. It is a conjugate acid of a cyclohexanecarboxylate.
Cyclohexanecarboxylic acid Basic Attributes
128.171
128.17
256-790-4
H9VKD9VL18
452
DTXSID8059180
2916209090
Characteristics
37.3
1.9
Solid
0.9866 g/cm3 @ Temp: 80.8 °C
31.5 °C
232.5 °C
107.0±13.1 °C
1.481
H2O: 0.201 g/100 mL (15 ºC)
Safety Information
NONH for all modes of transport
2
R36/37/38
S26-S36-S37/39
GU8370000
Xi:Irritant
P261-P280-P305 + P351 + P338
H315-H318-H335
|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P260, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P314, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 156 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Cyclohexanecarboxylic acid Use and Manufacturing
Paint and varnish driers, dry-cleaning soaps, lubricating oils, stabilizer for rubber.
Cyclohexanecarboxylic acid, lead salt (1:?): ACTIVE|Cyclohexanecarboxylic acid: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:128.17
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:128.083729621
Monoisotopic Mass:128.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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