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4728-82-9

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Basic Information
CAS No.: 4728-82-9
Name: ALLYLCYCLOHEXANE ACETATE
Article Data: 2
Molecular Structure:
Molecular Structure of 4728-82-9 (ALLYLCYCLOHEXANE ACETATE)
Formula: C11H18 O2
Molecular Weight: 182.263
Synonyms: Cyclohexaneaceticacid, 2-propenyl ester (9CI); Cyclohexaneacetic acid, allyl ester (7CI,8CI);Allyl cyclohexaneacetate; Allyl cyclohexylacetate
EINECS: 225-230-0
Density: 0.948g/cm3
Boiling Point: 246.7°Cat760mmHg
Flash Point: 98.8°C
Safety: Moderately toxic by ingestion and skin contact. Irritating to human skin. See also ALLYL COMPOUNDS and ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 26.30000
LogP: 2.68600
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Chemistry

Molecular Structure of Allyl cyclohexaneacetate (CAS NO.4728-82-9):

Empirical Formula: C11H18O2 
Molecular Weight: 182.2594 
Index of Refraction: 1.457 
Surface Tension: 32.1 dyne/cm
Density: 0.948 g/cm3 
Flash Point: 98.8 °C
Enthalpy of Vaporization: 48.38 kJ/mol 
Boiling Point: 246.7 °C at 760 mmHg
Vapour Pressure: 0.0268 mmHg at 25°C 
Synonyms of Allyl cyclohexaneacetate (CAS NO.4728-82-9): cyclohexaneacetic acid, 2-propen-1-yl ester ; Allyl cyclohexylacetate ; Cyclohexylacetic acid allyl ester

Production

Coming from cyclohexyl phenyl acetic acid and allyl alcohol in the presence of esterification made.

Toxicity Data With Reference

1.    

skn-hmn 20 mg/48H MLD

     FCTXAV    Food and Cosmetics Toxicology. 15 (1977),611.
2.    

skn-rbt 500 mg/24H MOD

     FCTXAV    Food and Cosmetics Toxicology. 15 (1977),611.
3.    

orl-rat LD50:900 mg/kg

     FCTXAV    Food and Cosmetics Toxicology. 15 (1977),611.
4.    

skn-rbt LD50:1250 mg/kg

     FCTXAV    Food and Cosmetics Toxicology. 15 (1977),611.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion and skin contact. Irritating to human skin. See also ALLYL COMPOUNDS and ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 Colorless liquid, was a strong sweet pineapple, peaches, apricots aroma. Boiling point is 60 ℃ (133Pa). Soluble in ethanol and oil.

 GB 2760 - 1996 provides for the temporary use of food to allow the use of spices. Allyl cyclohexaneacetate (CAS NO.4728-82-9)  is a Medium toxic chemical, flammable, toxic oxides of nitrogen gas,  it needed to be stored in low temperature, ventilation, drying and oxidability environmental condition, separated with food ingredients ,  water, carbon dioxide , dry powder, sand, water mist fire extinguishing can be used if urgency.