Methyl cyclohexylacetate - CAS 14352-61-5

Catalog:	BB009617
Product Name:	Methyl cyclohexylacetate
CAS:	14352-61-5
Synonyms:	methyl 2-cyclohexylacetate

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Computed Properties

IUPAC Name:	methyl 2-cyclohexylacetate
Description:	Methyl cyclohexylacetate (CAS# 14352-61-5) is a useful research chemical compound.
Molecular Weight:	156.22
Molecular Formula:	C9H16O2
Canonical SMILES:	COC(=O)CC1CCCCC1
InChI:	InChI=1S/C9H16O2/c1-11-9(10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChI Key:	IMXBRVLCKXGWSS-UHFFFAOYSA-N
Boiling Point:	201 °C
Melting Point:	201 °C (lit.)
Purity:	99 %
Density:	0.951 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00001516
LogP:	2.12980

Publication Number	Title	Priority Date
CN-113413834-A	Method for prolonging service cycle of palladium catalyst of hydrogenation tower and hydrogenation tower system thereof	20210617
CN-113213431-A	Process for producing hydrogen peroxide by high-efficiency anthraquinone method	20210527
CN-113044904-A	Extracting agent and method for synergistically extracting pollutants and phenols difficult to degrade in coal chemical industry wastewater	20210510
KR-102290374-B1	Highly flame retardant and digitally printable flame retardant materials and Manufacturing method thereof	20210506
CN-112322173-A	Solvent-resistant rubber type three-proofing paint and preparation method thereof	20201125

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GHS Hazard Statement:	H315 (97.56%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P272, P273, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, and P501
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.115029749
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.115029749
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8