4-(trans-4-Ethylcyclohexyl)benzoic Acid - CAS 87592-41-4

Catalog:	BB038536
Product Name:	4-(trans-4-Ethylcyclohexyl)benzoic Acid
CAS:	87592-41-4
Synonyms:	4-(4-ethylcyclohexyl)benzoic acid; 4-(4-ethylcyclohexyl)benzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(4-ethylcyclohexyl)benzoic acid
Description:	4-(trans-4-Ethylcyclohexyl)benzoic Acid (CAS# 87592-41-4) is a useful research chemical.
Molecular Weight:	232.32
Molecular Formula:	C15H20O2
Canonical SMILES:	CCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O
InChI:	InChI=1S/C15H20O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h7-12H,2-6H2,1H3,(H,16,17)
InChI Key:	DUJHWZDXZFNEKU-UHFFFAOYSA-N
Boiling Point:	370.1 °C / 760 mmHg
Density:	0.999 g/cm³
Storage:	Sealed in dry. Room temperature.
MDL:	MFCD06658176
LogP:	4.06860

Publication Number	Title	Priority Date
CN-101462939-A	Preparation of trans substitute cyclohexane-carboxylic acid and trans/trans bicyclohexanedicarboxylic acid	20071220
JP-2009256313-A	Trans-substituted cyclohexanecarboxylic acids and process for producing trans / transbicyclohexanedicarboxylic acids	20071220
TW-387008-B	A liquid crystal composition and a liquid crystal display element using the same	19950906
EP-0828700-A1	Liquid crystalline compounds having exo-methylene site and liquid crystal compositions comprising the same	19950525
US-6143198-A	Liquid crystalline compounds having exo-methylene site and liquid crystal compositions comprising the same	19950525

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
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2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501
Signal Word:	Warning

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.146329876
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	232.146329876
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8