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103-08-2

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Basic Information
CAS No.: 103-08-2
Name: 5-ETHYL-2-NONANOL
Article Data: 7
Molecular Structure:
Molecular Structure of 103-08-2 (5-ETHYL-2-NONANOL)
Formula: C11H24 O
Molecular Weight: 172.311
Synonyms: 5-Ethyl-2-nonanol;NSC 15686
Density: 0.826g/cm3
Melting Point: 11.58°C (estimate)
Boiling Point: 223°Cat760mmHg
Flash Point: 99.2°C
Safety: Mildly toxic by skin contact. A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 20.23000
LogP: 3.36380
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Chemistry

Molecule structure of 5-Ethyl-2-nonanol (CAS NO.103-08-2) :

IUPAC Name: 5-ethylnonan-2-ol 
Molecular Weight: 172.30766 g/mol
Molecular Formula: C11H24O
Density: 0.826 g/cm3
Boiling Point: 223 °C at 760 mmHg
Flash Point: 99.2 °C
Molar Volume: 208.3 cm3
Polarizability: 21.5*10-24 cm3
Surface Tension: 28.4 dyne/cm 
Enthalpy of Vaporization: 53.43 kJ/mol
Vapour Pressure: 0.02 mmHg at 25 °C 
EINECS: 203-078-6
XLogP3-AA: 4.2
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 7
Exact Mass: 172.182715
MonoIsotopic Mass: 172.182715
Topological Polar Surface Area: 20.2
Heavy Atom Count: 12
Complexity: 91
Canonical SMILES: CCCCC(CC)CCC(C)O
InChI: InChI=1S/C11H24O/c1-4-6-7-11(5-2)9-8-10(3)12/h10-12H,4-9H2,1-3H3
InChIKey: WYXKGYXADPUOOM-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 415 mg open MLD

     UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 2/21 ,1958.
2.    

eye-rbt 42 mg MOD

     UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 2/21 ,1958.
3.    

skn-rbt LD50:4760 mg/kg

     UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 2/21 ,1958.

Safety Profile

Mildly toxic by skin contact. A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 5-Ethyl-2-nonanol (CAS NO.103-08-2) is also called (3-Ethyl-n-heptyl)methylcarbinol ; 2-Nonanol, 5-ethyl- ; 5-ethylnonan-2-ol . 5-Ethyl-2-nonanol (CAS NO.103-08-2) is moderate toxic. It is flammable. It will produce stimulation smoke when buring. So the storage environment should be ventilate, low-temperature and dry.