Video

Product No: AB3537

Ethyl 2-oxocyclohexanecarboxylate, 95%

Name: Ethyl 2-oxocyclohexanecarboxylate
Brand: Chempure

()

CAS Number

1655-07-8

Molecular Weight

170.21

Formula

C9H14O3

Total BLR Stock

Bulk Quote

Pack Size	Qty	Lead Time	Price	Quantity

About this item

IUPAC name	ethyl 2-oxocyclohexane-1-carboxylate
canonical smiles	CCOC(=O)C1CCCCC1=O
inchi	InChI=1S/C9H14O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7H,2-6H2,1H3
inchi key	FGSGHBPKHFDJOP-UHFFFAOYSA-N
molecular formula	C9H14O3
synonyms	Ethyl 2-oxocyclohexanecarboxylate 1655-07-8 ethyl 2-oxocyclohexane-1-carboxylate Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester 2-Carbethoxycyclohexanone

Computed Properties

Molecular Weight:	170.21 g/mol
XLogP3:	1.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	3
Exact Mass:	170.094294304 g/mol
Monoisotopic Mass:	170.094294304 g/mol
Topological Polar Surface Area:	43.4 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	186
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Dehydroacetic acid

Methyl 2-methoxybenzoate

Ethyl 2-methoxybenzoate

Ethyl 2-acetyloctanoate

2'-Methoxyacetophenone

2-Ethoxybenzaldehyde

Hexafluoroacetylacetone

Methylchromone

Dimethyl chloromalonate

3-Ethyl-2,4-pentanedione

Ethyl 2-oxocyclopentanecarboxylate

2-Acetylcyclohexanone

Ethyl 4-hydroxypyrimidine-5-carboxylate

Ethyl 2-oxocyclohexanecarboxylate

Ethyl 2-ethoxybenzoate

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

;

About this item

Documentation

Certificate of Analysis

Lot Number

Require a Sample Certificate of Analysis (COA) ?

CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AB3537

Ethyl 2-oxocyclohexanecarboxylate, 95%

Product No: AB3537

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AB3537

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?