ChemicalBook--->CAS DataBase List--->5452-75-5

5452-75-5

5452-75-5 Structure

5452-75-5 Structure
IdentificationBack Directory
[Name]

ETHYL CYCLOHEXYLACETATE
[CAS]

5452-75-5
[Synonyms]

ETHYL CYCLOHEXYLACETATE
ETHYL CYCLOHEXANEACETATE
Ethyl 2-cyclohexylacetate
ETHYL CYCLOHEXYLACETATE, 98+%
Ethyl cyclohexaneacetate >=98%
CYCLOHEXYLACETIC ACID ETHYL ESTER
CYCLOHEXANEACETIC ACID ETHYL ESTER
Ethyl cyclohexylacetate, 98+% 50GR
Cyclohexaneacetic Acid Ethyl Ester Ethyl Cyclohexaneacetate Cyclohexylacetic Acid Ethyl Ester
[EINECS(EC#)]

226-695-2
[Molecular Formula]

C10H18O2
[MDL Number]

MFCD00001517
[MOL File]

5452-75-5.mol
[Molecular Weight]

170.25
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Boiling point ]

211-212 °C766 mm Hg(lit.)
[density ]

0.948 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.444(lit.)
[Fp ]

176 °F
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Insoluble in water, soluble in alcohol and oils
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

Powerful, sweet-fruity odor of considerable tenacity.
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

InChI=1S/C10H18O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
[InChIKey]

ZBDAMDWKXGTKBT-UHFFFAOYSA-N
[SMILES]

C1(CC(OCC)=O)CCCCC1
[LogP]

3.267 (est)
[EPA Substance Registry System]

Cyclohexaneacetic acid, ethyl ester (5452-75-5)
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Uses]

Ethyl Cyclohexylacetate is used in fruit and Honey imitation flavors at concentrations equivalent to about 20 ppm in the finished product. It acts partly as a blender, partly as a tixative for some of the more volatile alifatic fruit esters, or the lower Phenylacetates in Honey bases.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 57, p. 7194, 1992 DOI: 10.1021/jo00052a038
Tetrahedron Letters, 23, p. 4321, 1982 DOI: 10.1016/S0040-4039(00)85590-2
[Synthesis]

Ethyl Cyclohexylacetate is produced by esterification of Cyciohexyl ethanol with Acetic acid or Acetic anhydride.
Safety DataBack Directory
[Safety Statements ]

24/25
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

3
[RTECS ]

GU6555000
[TSCA ]

Yes
[HS Code ]

29162000
[Storage Class]

10 - Combustible liquids
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL CYCLOHEXYLACETATE(5452-75-5)MS
ETHYL CYCLOHEXYLACETATE(5452-75-5)1HNMR
ETHYL CYCLOHEXYLACETATE(5452-75-5)13CNMR
ETHYL CYCLOHEXYLACETATE(5452-75-5)IR1
ETHYL CYCLOHEXYLACETATE(5452-75-5)Raman
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