3742-81-2

Basic information

• Product Name: 1-ethylcyclohexyl acetate
• Synonyms: 1-ethylcyclohexyl acetate;1-Ethylcyclohexanol acetate;Acetic acid 1-ethylcyclohexyl ester;Cyclohexanol, 1-ethyl-, 1-acetate;Cyclohexanol, 1-ethyl-, acetate;Einecs 223-134-3
• CAS NO: 3742-81-2
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.24872
• EINECS: 223-134-3
• Mol File: 3742-81-2.mol

Chemical Properties

• Boiling Point: 201°Cat760mmHg
• Flash Point: 74.1°C
• Appearance: /
• Density: 0.95g/cm³
• Vapor Pressure: 0.314mmHg at 25°C
• Refractive Index: 1.45
• CAS DataBase Reference: 1-ethylcyclohexyl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-ethylcyclohexyl acetate(3742-81-2)
• EPA Substance Registry System: 1-ethylcyclohexyl acetate(3742-81-2)

Safety Data

• Hazardous Substances Data: 3742-81-2(Hazardous Substances Data)

Usage

Physical state

Colorless liquid

Odor

Fruity

Uses

Flavor and fragrance ingredient in the food and cosmetic industry

Additional uses

Solvent in inks, coatings, and adhesives

Stability

Stable compound

Volatility

Low volatility

Toxicity

Low toxicity

Production method

Esterification of 1-ethylcyclohexanol and acetic acid

Safety

Generally regarded as safe for use in food and personal care products

InChI:InChI=1/C10H18O2/c1-3-10(12-9(2)11)7-5-4-6-8-10/h3-8H2,1-2H3

Upstream product

• 1940-18-7 1-ethylcyclohexanol 
• 108-24-7 acetic anhydride 
• 108-94-1 cyclohexanone 
• 98-59-9 p-toluenesulfonyl chloride 
• 78-27-3 1-Ethynylcyclohexan-1-ol 

Downstream Products

• 134217-12-2 2,6-dibromo-9-(3-O-acetyl-5-O-benzoyl-2-deoxy-2-fluoro-β-D-arabinofuranosyl)-9H-purine 
• 180046-90-6 trans 4-(tert-butyloxycarbonylaminoethyl)cyclohexaneacetaldehyde 
• 180046-67-7 diethyl trans-4-(2-N-t-butoxycarbonylaminoethyl)cyclohexylmethylmalonate 
• 180046-56-4 tert-butyl N-[[4-(cyanomethyl)cyclohexyl]methyl]carbamate 
• 127676-16-8 4-<3-Hydroxy-2-(3-methyl-2-pyridyl)-propoxy>nitrobenzene 
• 74772-73-9 5-[4-(4-chlorobenzyloxy)benzyl]thiazolidine-2,4-dione 
• 89242-29-5 N-methyl N-(1-methyl propyl) 1-(2-chloro phenyl) 7-methyl isoquinoline 3-carboxamide 
• 247934-35-6 N-methyl N-(1-methyl propyl) 4-(4-methoxy phenyl) quinoline 2-carboxamide 
• 126400-95-1 N-(tert-butoxycarbonyl)-L-alanine benzyl ester 

Relevant articles and documents

ETHERS AND ESTERS OF 1-SUBSTITUTED CYCLOALKANOLS FOR USE AS AROMA CHEMICALS

The present invention relates to the use of an ether or an ester of a 1 -substituted cycloalkanol or of mixtures of two or more ethers or esters of 1 -substituted cycloalkanols or of a stereoisomer thereof or of a mixture of two or more stereoisomers thereof as aroma chemicals; to the use thereof for modifying the scent character of a fragranced composition; to an aroma chemical composition containing an ether or an ester of a 1 -substituted cycloalkanol or of mixtures of two or more ethers or esters of 1 -substituted cycloalkanols or of a stereoisomer thereof or of a mixture of two or more stereoisomers thereof; and to a method of preparing a fragranced composition or for modifying the scent character of a fragranced composition. The invention further relates to specific ethers or esters of 1 -substituted cycloalkanols.

Lanthanide bis[bis(1,1,1,3,3,3-hexafluoro-2-propoxy)sulfonyl]amide as a novel effective acylation catalyst

Lanthanide complexes Ln(BHFPSA)3 {BHFPSA = N[SO2OCH(CF3)2]2} catalyse the acylation of alcohols or phenols under very mild conditions to afford esters in high yields.

Phenylimidazolidines having antiandrogenic activity

A compound of the formula STR1 wherein R1 is --CN, --NO2 or halogen, R2 is --CF3 or halogen, --A--B-- is of STR2 X is --O-- or --S--, R3 is hydrogen, alkyl, alkenyl or alkynyl of up to 12 carbon atoms, aryl and aralkyl of up to 12 carbon atoms, all optionally substituted by --OH, halogen, --SH, --CN, acyl and acyloxy of up to 7 carbon atoms, --aryl, --O--aryl, --O--aralkyl --S-- aryl of up to 12 carbon atoms the aryl and aralkyl being optionally substituted by halogen, --CF3, alkyl, alkoxy, alkenyl, alkenyloxy, alkynyl or alkynyloxy with the sulfur being optionally oxidized to sulfone or sulfoxide, free, esterified, amidified or salified carboxy, --NH2, mono and dialkylamino and heterocyclic of 3 to 6 ring members and containing at least one heteroatom selected from the group consisting of oxygen, sulfur and nitrogen, the alkyl, alkenyl and alkynyl being optionally interrupted by at least one oxygen, nitrogen or sulfur optionally oxidized to sulfoxide or sulfone, trialkylsilyl with the alkyl having 1 to 6 carbon atoms and acyl and acyloxy of an organic carboxylic acid of 1 to 7 carbon atoms and Y is --O--, --S-- or --NH--, except the compounds wherein --A-B-- is STR3 X is oxygen, R3 is hydrogen and Y is oxygen or --NH--, R2 is --CF3 or halogen and R1 is --NO2 or halogen and their non-toxic, pharmaceutically acceptable acid addition salts.

Phenylimidazolidines having antiandrogenic activity

A compound of the formula STR1 wherein R 1 is --CN, --NO 2 or halogen, R 2 is --CF 3 or halogen, --A-B-- is of STR2 X is --O-- or --S--, R 3 is hydrogen, alkyl, alkenyl or alkynyl of up to 12 carbon atoms, aryl and aralkyl of up to 12 carbon atoms, all optionally substituted by --OH, halogen, --SH, --CN, acyl and acyloxy of up to 7 carbon atoms, --aryl, --O--aryl, --O--aralkyl --S-- aryl of up to 12 carbon atoms the aryl and aralkyl being optionally substituted by halogen, --CF 3, alkyl, alkoxy, alkenyl, alkenyloxy, alkynyl or alkynyloxy with the sulfur being optionally oxidized to sulfone or sulfoxide, free, esterified, amidified or salified carboxy, --NH 2, mono and dialkylamino and heterocyclic of 3 to 6 ring members and containing at least one heteroatom selected from the group consisting of oxygen, sulfur and nitrogen, the alkyl, alkenyl and alkynyl being optionally interrupted by at least one oxygen, nitrogen or sulfur optionally oxidized to sulfoxide or sulfone, trialkylsilyl with the alkyl having 1 to 6 carbon atoms and acyl and acyloxy of an organic carboxylic acid of 1 to 7 carbon atoms and Y is --O--, --S-- or --NH--, except the compounds wherein --A-B-- is STR3 X is oxygen, R 3 is hydrogen and Y is oxygen or --NH--, R 2 is --CF 3 or halogen and R 1 is --NO 2 or halogen and their non-toxic, pharmaceutically acceptable acid addition salts.

Cephalosporins

A syn isomer in (R) or (S) form or a mixture thereof of a compound of the formula STR1 in the form of an internal salt or a non-toxic, pharmaceutically acceptable acid addition salt wherein R1, R2, R3 and R5 are individually defined in the specification, R4 is --OH or alkoxy of 1 to 8 carbon atoms, A and A' are individually selected from the group consisting of hydrogen, an equivalent of an alkali metal or alkaline earth metal, magnesium, ammonium and an organic amine, or one or two of --COOA or --COOA' ARE --CO2 --, the wavy line means --CH2 R6 can be in the E or Z position, R6 in the quaternary ammonium form is selected from the group consisting of STR2 X is defined as in the specification with the proviso that when R3 is --OH or alkoxy of 1 to 8 carbon atoms, at least one R1, R2 and R5 is other than hydrogen having antibacterial properties.

Amino acid cyclopentanophenonthrene compounds

A compound of the formula STR1 wherein R 1 is an aliphatic hydrocarbon of 1 to 8 carbon atoms, R a and R b are individually hydrogen or alkyl of 1 to 4 carbon atoms, R 2 is hydrogen or optionally substituted alkyl of 1 to 12 carbon atoms, n is an integer from 1 to 6, Z is free carboxy or salified with an alkali metal, alkaline earth metal or NH 4 and X is the remainder of an optionally substituted and optionally unsaturated 5 or 6-member ring and the wavy line indicates the α- or β-position for R 1 having anti-glucocorticoid activity.

Cobalt(II) Chloride Catalyzed Acylation of Alcohols with Acetic Anhydride: Scope and Mechanism

Cobalt(II) chloride catalyzes the acetylation of a variety of alcohols with acetic anhydride in excellent yield.Primary hydroxyl groups can be selectively acylated in the presence of secondary and tertiary ones while the secondary hydroxyl groups can be preferentially acetylated in the presence of tertiary ones.Tertiary alcohols have been found to give ketones, acetoacetates, olefins, and diketene in addition to the acetate.The β-hydroxy esters and ketones can be acylated under these conditions without any elimination, and this reaction has been compared with 4-(dimethylamino)pyridine (DMAP)-mediated acylations where elimination of the resulting β-acetoxy carbonyl compound is observed.A detailed investigation of the acylation of tertiary alcohols has revealed that these reactions proceed via a tertiary alkoxy radical and ketene.A mechanism for these acylations is proposed by invoking an electron-transfer process.

Novel steroids

A compound selected from the group consisting of a compound of the formula wherein R is selected from the group consisting of hydrogen, alkyl, alkylthio and haloalkyl of 1 to 6 carbon atoms, alkenyl and alkynyl of 2 to 6 carbon atoms, optionally substituted arylthio of 6 to 10 carbon atoms, aryl of 6 to 12 carbon atoms, acyl of an organic carboxylic acid of 1 to 12 carbon atoms, --CN, cycloalkyl of 3 to 6 carbon atoms and --(CH 2) m --Re, m is an integer from 1 to 3, Re is --OH or --SH or --Salk, Alk is alkyl of 1 to 6 carbon atoms, X is selected from the group consisting of oxygen, N--O--R 1, or =X is H 2 or R A and R B are individually selected from the group consisting of hydrogen, halogen and alkyl of 1 to 6 carbon atoms, R 1 is hydrogen or alkyl of 1 to 6 carbon, R' is hydrogen or acyl, the wavy lines indicate --or -position, Y is selected from the group consisting of oxygen, NOR, or =Y is H 2 and q is an integer from 1 to 3, Rc is selected from the group consisting of hydrogen, alkyl of 1 to 6 carbon atoms and alkenyl and alkynyl of 2 to 6 carbon atoms, R" is hydrogen or acyl W is selected from the group consisting of hydrogen, optionally substituted alkyl and alkylthio of 1 to 6 carbon atoms and optionally substituted arylthio of 6 to 10 carbon atoms, Z is hydrogen or alkyl of 1 to 10 carbon atoms, n is an integer from 0 to 2, the dotted lines in 1(2)-, 4(5)- and 6(7)-position indicate an optional double bond between the carbon atoms and their non-toxic, pharmaceutically acceptable salts having aromatase specific activity.

Novel heterocyclic dicarboxylic acids

A compound selected from the group consisting of a compound of the formula STR1 wherein the dotted lines represent a possible endo or exo double bond, R1 and R2 are individually selected from the group consisting of hydrogen, alkyl of 1 to 8 carbon atoms, alkenyl and alkynyl of 2 to 8 carbon atoms, aryl of 6 to 14 carbon atoms, aralkyl of 7 to 18 carbon atoms and STR2 R'2 is alkyl of 1 to 8 carbon atoms or aryl of 6 to 14 carbon atoms, X is --O-- or --NR--, R is selected from the group consisting of hydrogen STR3 and --COOR', R' is hydrogen or alkyl of 1 to 8 carbon atoms, Y is selected from the group consisting of hydrogen, alkyl of 1 to 8 carbon atoms and alkenyl and alkynyl of 2 to 8 carbon atoms, all optionally substituted with at least one halogen or --OH, with the proviso that if Y is --OH, X is not --NH-- and their non-toxic, pharmaceutically acceptable addition salts of acids or bases having antibacterial and immunological properties.

Insecticidal cyclopropane carboxylic acid derivatives with 3-unsaturated-side chain

Novel isomers and mixtures thereof of cyclopropane carboxylic acid derivatives with a 3-unsaturated side chain of the formula STR1 The double bond having Z or E geometry and having insecticidal and nematocidal activity as well as plant and animal acaricidal activity.