4-tert-Butylcyclohexanecarboxylic acid
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4-tert-Butylcyclohexanecarboxylic acid
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CAS No:
5451-55-8
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Formula:
C11H20O2
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Chemical Name:
4-tert-Butylcyclohexanecarboxylic acid
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Synonyms:
Cyclohexanecarboxylic acid,4-(1,1-dimethylethyl)-;Cyclohexanecarboxylic acid,4-tert-butyl-;4-(1,1-Dimethylethyl)cyclohexanecarboxylic acid;4-tert-Butylcyclohexanecarboxylic acid;NSC 176105;NSC 176107;NSC 48094;4-tert-Butylcyclohexane-1-carboxylic acid;4-tert-Butylcyclohexanoic acid
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CAS No:
Description
WHITE FINE CRYSTALS OR CRYSTALLINE POWDER
Trans-4-tert-butylcyclohexanecarboxylic acid is a monocarboxylic acid that is cyclohexanecarboxylic acid substituted by a tert-butyl group at position 4 (the trans-stereoisomer). It has a role as a metabolite. It derives from a hydride of a cyclohexane.
4-tert-Butylcyclohexanecarboxylic acid Basic Attributes
184.275
184.28
611-163-8
176107|176105|52181|52180
DTXSID70241408
2916209090
Characteristics
37.30000
3.49
1.0±0.1 g/cm3
5451-55-8ºC
282.9±8.0 °C at 760 mmHg
136.7±13.1 °C
1.474
Safety Information
NONH for all modes of transport
3
R36/37/38
26-36/37/39
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|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|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:184.27
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:184.146329876
Monoisotopic Mass:184.146329876
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-tert-Butylcyclohexanecarboxylic acid
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