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21722-83-8

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Basic Information
CAS No.: 21722-83-8
Name: FEMA 2348
Article Data: 14
Molecular Structure:
Molecular Structure of 21722-83-8 (FEMA 2348)
Formula: C10H18O2
Molecular Weight: 170.252
Synonyms: Hexahydrophenethyl acetate;Cyclohexaneethanol,acetate;Cyclohexylethyl acetate;Cyclohexaneethyl acetate;Hexahydrophenyl ethyl acetate;FEMA No. 2348;EINECS 244-543-3;
EINECS: 244-543-3
Density: 0.943g/cm3
Boiling Point: 214.9°Cat760mmHg
Flash Point: 81.1°C
Safety: Moderately toxic by ingestion. Mildly toxic by skin contact. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
PSA: 26.30000
LogP: 2.51990
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Chemistry

IUPAC Name: 2-cyclohexylethyl acetate 
Empirical Formula: C10H18O2
Molecular Weight: 170.2487g/mol 
EINECS: 244-543-3
Index of Refraction: 1.444
Molar Refractivity: 48.03 cm3
Molar Volume: 180.5 cm3
Polarizability: 19.04×10-24cm3
Surface Tension: 31.7 dyne/cm
Density: 0.943 g/cm3
Flash Point: 81.1 °C
Enthalpy of Vaporization: 45.12 kJ/mol
Boiling Point: 214.9 °C at 760 mmHg
Vapour Pressure: 0.152 mmHg at 25°C
 Product Categories: Alphabetical Listings;C-D;Flavors and Fragrances
Canonical SMILES: CC(=O)OCCC1CCCCC1
InChI: InChI=1S/C10H18O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3
InChIKey: NOTFZGFABLVTIG-UHFFFAOYSA-N
Structure of Ethylcyclohexyl acetate (CAS NO.21722-83-8):

Toxicity Data With Reference

1.    

orl-rat LD50:3200 mg/kg

     FCTXAV    Food and Cosmetics Toxicology. 13 (1975),783.
2.    

skn-rbt LD50:5000 mg/kg

     FCTXAV    Food and Cosmetics Toxicology. 13 (1975),783.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

WGK Germany: 1
RTECS: AG5095000
Moderately toxic by ingestion. Mildly toxic by skin contact. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

Specification

 Ethylcyclohexyl acetate , its cas register number is 21722-83-8. It also can be called -Cyclohexylethyl acetate ; 4-06-00-00119 (Beilstein Handbook Reference) ; AI3-17442 ; BRN 2244135 ; Cyclohexane ethyl acetate ; Cyclohexylethyl acetate ;
 EINECS 244-543-3 ; Ethylcyclohexyl acetate ; FEMA No. 2348 ; Hexahydrophenethyl acetate .