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Basic Information
CAS No.: 72117-72-7
Name: DIMETHYLIONONE
Molecular Structure:
Molecular Structure of 72117-72-7 (DIMETHYLIONONE)
Formula: C15H24 O
Molecular Weight: 220.355
Synonyms: Dimethylionone
Density: 0.924g/cm3
Boiling Point: 302.7°C at 760 mmHg
Flash Point: 131.7°C
Safety: A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 17.07000
LogP: 4.29430
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Chemistry

Product Name: α-Cyclocitrylidene-4-methylbutan-3-one (CAS NO.72117-72-7)


Molecular Formula: C15H24O
Molecular Weight: 220.3505g/mol
Mol File: 72117-72-7.mol
Boiling point: 302.7 °C at 760 mmHg
Flash Point: 131.7 °C
Density: 0.924 g/cm3
Surface Tension: 32.2 dyne/cm
Enthalpy of Vaporization: 54.29 kJ/mol
Vapour Pressure: 0.000976 mmHg at 25°C
XLogP3-AA: 3.8
H-Bond Donor: 0
H-Bond Acceptor: 1
Rotatable Bond Count: 3
Tautomer Count: 5
Topological Polar Surface Area: 17.1
Heavy Atom Count: 16
Complexity: 331

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MOD

     FCTXAV    Food and Cosmetics Toxicology. 16 (1978),717.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 α-Cyclocitrylidene-4-methylbutan-3-one ,its CAS NO. is 72117-72-7,the synonyms is 1,3-Dimethyl-alpha-ionone ; Dimethylionone ; alpha-Cyclocitrylidene-4-methylbutan-3-one ; 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-
methyl- ; 1-Penten-3-one, 2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- .