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622-45-7

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622-45-7 Usage

Description

Cyclohexyl acetate is a synthetic flavoring agent and a colorless liquid with a fruity odor. It is slightly less dense than water, insoluble in water, and has a flash point of 136°F. Its vapors are much heavier than air and may be narcotic in high concentrations. It may emit acrid smoke and irritating fumes when heated to high temperatures. Cyclohexyl acetate is used as a solvent and in the production of rubber.

Uses

Used in Flavor Industry:
Cyclohexyl acetate is used as a flavoring agent for various fruits such as apple, banana, blackberry, and raspberry. It is commonly used in the production of beverages, ice cream, candy, and baked goods at concentrations ranging from 15–110 ppm.
Used in Perfume Industry:
Cyclohexyl acetate is employed as a fragrance component in the perfume industry due to its odor reminiscent of amyl acetate.
Used in Solvent Applications:
Cyclohexyl acetate is used as a solvent in various industries, including the production of pigment pastes, where it is valued for its good solvency for basic dyes.
Used in Rubber Industry:
Cyclohexyl acetate is utilized in the manufacturing process of rubber, taking advantage of its solvency properties comparable to those of amyl acetate.

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.

Preparation

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

Synthesis Reference(s)

Tetrahedron Letters, 3, p. 1287, 1962 DOI: 10.1007/BF01499754

Air & Water Reactions

Flammable. Insoluble in water.

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.

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.

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.

Check Digit Verification of cas no

The CAS Registry Mumber 622-45-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,2 and 2 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 622-45:
(5*6)+(4*2)+(3*2)+(2*4)+(1*5)=57
57 % 10 = 7
So 622-45-7 is a valid CAS Registry Number.
InChI:InChI=1/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3

622-45-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Cyclohexyl acetate

1.2 Other means of identification

Product number -
Other names Acetic acid, cyclohexyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:622-45-7 SDS

622-45-7Relevant articles and documents

Acid catalysed reactions of alcohols in acetic anhydride.

Fischer,Hardman,Hartshorn,Kirk

, p. 1647 - 1652 (1967)

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Activation of a Non-Heme FeIII-OOH by a Second FeIII to Hydroxylate Strong C?H Bonds: Possible Implications for Soluble Methane Monooxygenase

Kal, Subhasree,Que, Lawrence

, p. 8484 - 8488 (2019)

Non-heme iron oxygenases contain either monoiron or diiron active sites, and the role of the second iron in the latter enzymes is a topic of particular interest, especially for soluble methane monooxygenase (sMMO). Herein we report the activation of a non-heme FeIII-OOH intermediate in a synthetic monoiron system using FeIII(OTf)3 to form a high-valent oxidant capable of effecting cyclohexane and benzene hydroxylation within seconds at ?40 °C. Our results show that the second iron acts as a Lewis acid to activate the iron–hydroperoxo intermediate, leading to the formation of a powerful FeV=O oxidant—a possible role for the second iron in sMMO.

-

Wunderly,Sowa

, p. 1010 (1937)

-

Kinetics Study of the Esterification Reaction of Cyclohexene to Cyclohexyl Acetate Catalyzed by Novel Br?nsted–Lewis Acids Bifunctionalized Heteropolyacid Based Ionic Liquids Hybrid Solid Acid Catalysts

Guang, Binxiong,Wu, Yuefeng,Liu, Weihua,Wang, Jianhong,Xiao, Yahui,Liu, Yong

, (2021)

A series of Br?nsted–Lewis acids bifunctionalized heteropolyacid based ionic liquids hybrid solid acid catalysts (BLA-HPA-ILs) were synthesized by combining the Br?nsted acidic ionic liquid [Bis–Bs–BDMAEE]HPW12O40 with metallic oxide in different composition ratios and applied in the esterification of cyclohexene to cyclohexyl acetate. Among the synthesized catalysts, the 1/2Cu[Bis–Bs–BDMAEE]HPW12O40 catalyst with Br?nsted and Lewis acidities shown the most excellent catalytic performance for the esterification of cyclohexene with acetic acid. The BLA-HPA-ILs catalysts were characterized by elemental analysis, FT-IR, Py-IR, TG, 1H NMR, SEM and EDX. The effects of reaction temperature, catalyst dosage, and initial reactant molar ratio has been investigated in detail. A pseudohomogeneous (PH) kinetic model was used to correlate the kinetic data in the temperature range of 333.15–363.15?K, and the kinetic parameters were estimated, indicating the results calculated by the kinetic model are well coincidence with the experimental results. Moreover, as a heterogeneous reaction catalyst, 1/2Cu[Bis–Bs–BDMAEE]HPW12O40 could be easily recovered by a simple treatment and reused six times without any obvious decrease in catalytic activity, displaying good reusability. Graphic Abstract: [Figure not available: see fulltext.]

Noncross-linked polystyrene nanoencapsulation of ferric chloride: A novel and reusable heterogeneous macromolecular Lewis acid catalyst toward selective acetylation of alcohols, phenols, amines, and thiols

Alinejad, Sara,Donyapeyma, Ghazaleh,Rahmatpour, Ali

, (2022/01/24)

Ferric chloride has been successfully nanoencapsulated for the first time on a non-cross-linked polystyrene matrix as the shell material via the coacervation technique. The resulting polystyrene nanoencapsulated ferric chloride was used as a novel and rec

An efficient, economical and eco-friendly acylation of alcohols and amines by alum doped nanopolyaniline under solvent free condition

Behera, Satyaranjan,Patra, Braja N.

, (2021/08/06)

We report acylation of alcohols and amines employing acetic acid as an acylating agent in solvent free condition by using alum doped nanopolyaniline (NDPANI) as a catalyst. This environmentally benign method does not use corrosive acid anhydrides and acid chlorides for acylation and does not produce waste product. Also, a non-toxic potash alum was used for doping of polyaniline rather than corrosive acids. The reaction conditions represent an advance over established method not only in omitting the need for expensive catalysts or solvents but also in shortening the reaction time significantly. The advantages of this catalyst are non-hazardous, cheap, reusable, easy to prepare and handling.

Cyclohexene esterification-hydrogenation for efficient production of cyclohexanol

Zhu, Yunfeng,Gao, Liang,Wen, Langyou,Zong, Baoning,Wang, Hao,Qiao, Minghua

supporting information, p. 1185 - 1192 (2021/02/26)

A novel process based on cyclohexene esterification-hydrogenation for the production of cyclohexanol, the key intermediate in the production of ε-caprolactam, was devised and validated for the first time. In this process, cyclohexene obtained from the partial hydrogenation of benzene is esterified with acetic acid to cyclohexyl acetate, followed by hydrogenation to cyclohexanol. The experimentally determined equilibrium conversion of cyclohexene for cyclohexene esterification at the stoichiometric ratio is always ≥68% in the temperature range of 333-373 K over the commercial Amberlyst 15 catalyst, which is substantially higher than that of cyclohexene hydration. The apparent activation energy (Ea) for the esterification of cyclohexene with acetic acid is 60.0 kJ mol?1, which is lower than that of cyclohexene hydration. In the hydrogenation of cyclohexyl acetate to cyclohexanol, high conversion of 99.5% and high selectivity of 99.7% are obtained on the La-promoted Cu/ZnO/SiO2catalyst prepared by the co-precipitation method. This process shows both a high overall atom economy of 99.4% comparable to that of the cyclohexene hydration process and a much higher catalytic efficiency than the phenol hydrogenation process. On the basis of the above fundamental works, a pilot-scale demonstration unit with a capacity of 8000 tonnes per annum was developed and operated smoothly for more than 1000 h with no indication of deactivation.

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