Ethyl 3-Cyclohexylpropanoate - CAS 10094-36-7

Catalog:	BB000398
Product Name:	Ethyl 3-Cyclohexylpropanoate
CAS:	10094-36-7
Synonyms:	3-cyclohexylpropanoic acid ethyl ester; ethyl 3-cyclohexylpropanoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 3-cyclohexylpropanoate
Description:	Ethyl 3-Cyclohexylpropanoate (CAS# 10094-36-7 ) is a useful research chemical.
Molecular Weight:	184.28
Molecular Formula:	C11H20O2
Canonical SMILES:	CCOC(=O)CCC1CCCCC1
InChI:	InChI=1S/C11H20O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChI Key:	NRVPMFHPHGBQLP-UHFFFAOYSA-N
Boiling Point:	221.7 °C at 760 mmHg
Density:	0.935 g/cm³
Solubility:	16.03 mg/L at 25 °C (est)
Appearance:	Colourless, Oily liquid
MDL:	MFCD00001526
LogP:	2.91000

Publication Number	Title	Priority Date
CN-110591182-A	High-performance double-sided tooth track for robot and preparation method thereof	20190802
WO-2019243869-A1	Protective agent for food products and the like and for curing and/or storage rooms of the same	20180619
EP-3809876-A1	Protective agent for food products and the like and for curing and/or storage rooms of the same	20180619
CA-2972375-A1	Malodor reduction compositions	20170706
DE-102017117218-A1	Ink for organic el	20160801

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GHS Hazard Statement:	H226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	148
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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.146329876
Rotatable Bond Count:	5
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5