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trans-4-(tert-Butyl)cyclohexanecarboxylic Acid

trans-4-(tert-Butyl)cyclohexanecarboxylic Acid - CAS 943-29-3

Catalog:	BB041274
Product Name:	trans-4-(tert-Butyl)cyclohexanecarboxylic Acid
CAS:	943-29-3
Synonyms:	4-tert-butyl-1-cyclohexanecarboxylic acid; 4-tert-butylcyclohexane-1-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-tert-butylcyclohexane-1-carboxylic acid
Description:	trans-4-(tert-Butyl)cyclohexanecarboxylic Acid (CAS# 943-29-3) is a useful research chemical.
Molecular Weight:	184.28
Molecular Formula:	C11H20O2
Canonical SMILES:	CC(C)(C)C1CCC(CC1)C(=O)O
InChI:	InChI=1S/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)
InChI Key:	QVQKEGYITJBHRQ-UHFFFAOYSA-N
Boiling Point:	282.9 °C at 760 mmHg
Density:	0.996 g/cm³
LogP:	2.92350

Publication Number	Title	Priority Date
US-2021179540-A1	Trisamide compounds and compositions comprising the same	20191212
US-2021179544-A1	Trisamide compounds and compositions comprising the same	20191212
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
WO-2021119632-A1	Trisamide compounds and compositions comprising the same	20191212
WO-2021119633-A1	Trisamide compounds and compositions comprising the same	20191212

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.146329876
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.146329876
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3