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20780-49-8

Basic Information
CAS No.: 20780-49-8
Name: 3,7-DIMETHYL-1-OCTANOL ACETATE
Article Data: 17
Molecular Structure:
Molecular Structure of 20780-49-8 (3,7-DIMETHYL-1-OCTANOL ACETATE)
Formula: C12H24 O2
Molecular Weight: 200.321
Synonyms: 1-Octanol,3,7-dimethyl-, acetate (7CI,8CI,9CI); 3,7-Dimethyloctyl acetate;Dihydrocitronellyl acetate; Tetrahydrogeranyl acetate
Density: 0.867g/cm3
Melting Point: -15.03°C (estimate)
Boiling Point: 222°Cat760mmHg
Flash Point: 91.8°C
Solubility: 4.7mg/L at 25℃
Risk Codes: R36/38
Safety: Mildly toxic by skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 26.30000
LogP: 3.40200
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Chemistry

MF: C12H24O2
MW: 200.32
EINECS: 244-034-6
Density: 0.867 g/cm3 
Flash Point: 91.8 °C
Index of Refraction: 1.427 
IUPAC Name: 3,7-Dimethyloctyl acetate 
Enthalpy of Vaporization: 45.85 kJ/mol 
Boiling Point: 222 °C at 760 mmHg 
Vapour Pressure of 3,7-Dimethyloctanyl acetate (CAS NO.20780-49-8): 0.104 mmHg at 25°C 
Synonyms: 1-Octanol, 3,7-dimethyl-, acetate ; 3,7-Dimethyl-1-octanoacetate ; 3,7-Dimethyloctanyl acetate ; 3,7-Dimethyloctanylacetate ; 3,7-Dimethyloctyl acetate
Following is the molecular structure of 3,7-Dimethyloctanyl acetate (CAS NO.20780-49-8):

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MOD

    FCTXAV    Food and Cosmetics Toxicology. 18 (1980),673.
2.    

skn-rbt LD50:5000 mg/kg

    FCTXAV    Food and Cosmetics Toxicology. 18 (1980),673.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Mildly toxic by skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of 3,7-Dimethyloctanyl acetate (CAS NO.20780-49-8):
Hazard Codes : XiIrritant
Risk Statements: R36/38
R36/38 - Irritating to skin and eyes.
Safety Statements: S2,S24/25,S26,S36
S2: Keep out of the reach of children.
S24/25: Avoid contact with skin and eyes.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.