Cyclohexaneacetic acid - CAS 5292-21-7

Catalog:	BB027982
Product Name:	Cyclohexaneacetic acid
CAS:	5292-21-7
Synonyms:	2-cyclohexylacetic acid

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Computed Properties

IUPAC Name:	2-cyclohexylacetic acid
Description:	Cyclohexaneacetic acid (CAS# 5292-21-7) is a useful research chemical.
Molecular Weight:	142.20
Molecular Formula:	C8H14O2
Canonical SMILES:	C1CCC(CC1)CC(=O)O
InChI:	InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
InChI Key:	LJOODBDWMQKMFB-UHFFFAOYSA-N
Boiling Point:	242-244 °C
Melting Point:	28-32 °C
Purity:	99 %
Density:	1.007 g/cm³
Solubility:	2.88 mg/mL at 25 °C
Appearance:	White solid
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00001518
LogP:	2.04140

Publication Number	Title	Priority Date
US-11033516-B1	Combination therapies with disulfiram	20200918
US-2021171881-A1	Effervescing Compositions and Tablets for Treating Toilets	20191206
WO-2021110273-A1	Encapsulated odorants based on natural amino acids	20191205
WO-2021104619-A1	Particulate products and method for production thereof	20191127
WO-2021105183-A1	Particulate products and method for production thereof	20191127

PMID	Publication Date	Title	Journal
21459409	20110701	Naphthenic acid biodegradation by the unicellular alga Dunaliella tertiolecta	Chemosphere
20827507	20110501	Libraries of 2β-(N-substituted piperazino)-5α-androstane-3α, 17β-diols: chemical synthesis and cytotoxic effects on human leukemia HL-60 cells and on normal lymphocytes	Molecular diversity
21035809	20101203	Elution behavior of polyethylene and polypropylene standards on carbon sorbents	Journal of chromatography. A
18392890	20080801	Isolation and characterization of new cyclohexylacetic acid-degrading bacteria	Current microbiology
15118847	20041101	Degradation pathways of cyclic alkanes in Rhodococcus sp. NDKK48	Applied microbiology and biotechnology

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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:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.099379685
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.099379685
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5