ChemicalBook--->CAS DataBase List--->622-45-7

622-45-7

622-45-7 Structure

622-45-7 Structure
IdentificationMore
[Name]

Cyclohexyl acetate
[CAS]

622-45-7
[Synonyms]

ACETIC ACID CYCLOHEXYL ESTER
Cyclohexanol acetate
CYCLOHEXYL ACETATE
FEMA 2349
acetate-cyclohexano
acetatedecyclohexyle
adronalacetate
adronolacetate
cyclohexanolacetate(combustibleliquid,n.o.s.)
cyclohexanolacetate(flammableliquids,n.o.s.)
Cyclohexanolazetat
Cyclohexanyl acetate
cyclohexanylacetate
Cyclohexyl ester of acetic acid
Cyclohexylester kyseliny octove
cyclohexylesterkyselinyoctove
Cyclohexylethanoate
Ethanoicacidcyclohexylester
H.A. solvent
Hexalin acetate
[EINECS(EC#)]

210-736-6
[Molecular Formula]

C8H14O2
[MDL Number]

MFCD00003850
[Molecular Weight]

142.2
[MOL File]

622-45-7.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless to pale yellow liquid
[Melting point ]

-77 °C
[Boiling point ]

172-173 °C(lit.)
[density ]

0.966 g/mL at 25 °C(lit.)
[FEMA ]

2349
[refractive index ]

n20/D 1.439(lit.)
[Fp ]

136 °F
[storage temp. ]

Store below +30°C.
[solubility ]

2g/l
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. fruity sweet musty ethereal
[biological source]

synthetic
[explosive limit]

0.9%(V)
[Odor Type]

fruity
[Water Solubility ]

1.597g/L(20 ºC)
[JECFA Number]

1093
[Henry's Law Constant]

1.0×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
[Dielectric constant]

5.0800000000000001
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3
[InChIKey]

YYLLIJHXUHJATK-UHFFFAOYSA-N
[SMILES]

CC(=O)OC1CCCCC1
[LogP]

2.64
[Uses]

Cyclohexyl Acetate is a synthetic flavoring agent that is a stable, colorless liquid of fruity odor. it is stored in glass, tin, or resin-lined containers. it is used for flavors such as apple, banana, blackberry, and raspberry with applications in beverages, ice cream, candy, and baked goods at 15–110 ppm.
[CAS DataBase Reference]

622-45-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Acetic acid, cyclohexyl ester(622-45-7)
[EPA Substance Registry System]

622-45-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P233-P240-P241-P242-P243
[Hazard Codes ]

Xi
[Risk Statements ]

R38:Irritating to the skin.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 2243 3/PG 3
[WGK Germany ]

1
[RTECS ]

AG5075000
[TSCA ]

TSCA listed
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29153900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
[Safety Profile]

Moderately toxic by subcutaneous route. Mildly toxic by ingestion and skin contact. Human systemic effects by inhalation: conjunctiva irritation and unspecified respiratory system changes. A systemic irritant to humans. A skin and eye irritant. Flammable liquid when exposed to heat or flame. When heated to decomposition it emits acrid smoke and irritating fumes.
[Hazardous Substances Data]

622-45-7(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Cyclohexanol
[Preparation Products]

1,4-DICYCLOHEXYLBENZENE-->ETHANOL-1,1-D2
Hazard InformationBack Directory
[General Description]

A colorless liquid. Flash point 136°F. Slightly less dense than water and insoluble in water. Vapors are much heavier than air and may be narcotic in high concentrations. May emit acrid smoke and irritating fumes when heated to high temperatures. Used as a solvent and in making rubber.
[Reactivity Profile]

CYCLOHEXANOL ACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
[Air & Water Reactions]

Flammable. Insoluble in water.
[Health Hazard]

May be harmful by inhalation, ingestion, or skin absorption. Causes eye and skin irritation.
[Fire Hazard]

Special Hazards of Combustion Products: Emits toxic fumes under fire conditions. Vapor may travel considerable distance to a source of ignition and flash back.
[Chemical Properties]

Clear colorless to pale yellow liquid
[Chemical Properties]

Cyclohexyl acetate is a colorless, oily, and flammable liquid.
[Chemical Properties]

Cyclohexyl has an odor reminiscent of amyl acetate.
[Occurrence]

Reported found in sauerkraut.
[Definition]

ChEBI: Cyclohexyl acetate is a carboxylic ester.
[Preparation]

By heating the corresponding alcohol with acetic anhydride or acetic acid in the presence of traces of sulfuric acid.
[Production Methods]

Cyclohexyl acetate is manufactured by direct esterification of cyclohexanol and alternatively by heating alcohol with acetic anhydride in the presence of sulfuric acid.
[Taste threshold values]

Taste characteristics at 30 ppm: solventy and slightly cooling with sweet banana and apple notes.
[Synthesis Reference(s)]

Tetrahedron Letters, 3, p. 1287, 1962 DOI: 10.1007/BF01499754
[Solubility in organics]

Soluble in alcohol and oils.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

cyclohexyl acetate(622-45-7).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Cyclohexyl acetate(622-45-7)MS
Cyclohexyl acetate(622-45-7)1HNMR
Cyclohexyl acetate(622-45-7)13CNMR
Cyclohexyl acetate(622-45-7)IR1
Cyclohexyl acetate(622-45-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Cyclohexyl acetate, 99%(622-45-7)
[Sigma Aldrich]

622-45-7(sigmaaldrich)
[TCI AMERICA]

Cyclohexyl Acetate,>99.0%(GC)(622-45-7)
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