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1331-50-6

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Basic Information
CAS No.: 1331-50-6
Name: 2,6,8-trimethyl-4-nonanone
Molecular Structure:
Molecular Structure of 1331-50-6 (2,6,8-trimethyl-4-nonanone)
Formula: C12H24O
Molecular Weight: 184.36
Synonyms: Trimethyl nonanone;Nonanone,trimethyl;
Density: 0.819g/cm3
Melting Point: -74.9°C
Boiling Point: 218.9°C at 760 mmHg
Flash Point: 63.1°C
Safety: Mildly toxic by ingestion. A skin and eye irritant. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
PSA: 17.07000
LogP: 3.67390
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    2,6,8-TRIMETHYL-4-NONANONEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry

Empirical Formula of Trimethyl nonanone (CAS NO.56287-19-5): C12H24O
Molecular Weight: 184.3184 g/mol
Structure of Trimethyl nonanone (CAS NO.1331-50-6):
               
IUPAC Name: 3,4,5-Trimethylnonan-2-one
Canonical SMILES: CCCCC(C)C(C)C(C)C(=O)C
InChI: InChI=1S/C12H24O/c1-6-7-8-9(2)10(3)11(4)12(5)13/h9-11H,6-8H2,1-5H3
InChIKey: PKNKULBDCRZSBT-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 10 mg/24H open MLD

     AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
2.    

skn-rbt 500 mg open MLD

     UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 4/25 ,1958.
3.    

eye-rbt 500 mg open

     AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
4.    

orl-rat LD50:8470 mg/kg

     UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 4/25 ,1968.

Safety Profile

Mildly toxic by ingestion. A skin and eye irritant. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition Trimethyl nonanone (CAS NO.56287-19-5) emits acrid smoke and irritating fumes. See also KETONES.

Specification

 Trimethyl nonanone , its cas register number is 1331-50-6. It also can be called Nonanone, trimethyl- .