Product Name

  • Name

    DIHYDO-ALPHA-IONONE

  • EINECS 250-657-4
  • CAS No. 31499-72-6
  • Article Data48
  • CAS DataBase
  • Density 0.922 g/mL at 20oC(lit.)
  • Solubility
  • Melting Point
  • Formula C13H22 O
  • Boiling Point 90oC0.1 mm Hg(lit.)
  • Molecular Weight 194.317
  • Flash Point 98oC
  • Transport Information
  • Appearance
  • Safety A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 31499-72-6 (DIHYDO-ALPHA-IONONE)
  • Hazard Symbols
  • Synonyms 3,4-Dihydro-a-ionone;4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butanone;Dihydro-a-ionone;a-7,8-Dihydroionone;
  • PSA
  • LogP

Dihydro-alpha-ionone Chemical Properties

Product Name: Dihydro-alpha-ionone (CAS NO.31499-72-6)


Molecular Formula: C13H22O
Molecular Weight: 194.31g/mol
Mol File: 31499-72-6.mol
Einecs: 250-657-4
Boiling point: 90 °C0.1 mm Hg(lit.)
Flash Point: 98 °C
Density: 0.922 g/mL at 20 °C(lit.)
Refractive index: n20/D 1.477
Surface Tension: 25.7 dyne/cm
Enthalpy of Vaporization: 49.49 kJ/mol
Vapour Pressure: 0.0146 mmHg at 25°C
XLogP3-AA: 2.8
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of Dihydro-alpha-ionone (CAS NO.31499-72-6):
  IUPAC Name: 4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one
  Canonical SMILES: CC1=CCCC(C1CCC(=O)C)(C)C
  InChI: InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,12H,5,7-9H2,1-4H3 
  InChIKey: JHJCHCSUEGPIGE-UHFFFAOYSA-N

Dihydro-alpha-ionone Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MOD

     FCTXAV    Food and Cosmetics Toxicology. 16 (1978),711.

Dihydro-alpha-ionone Consensus Reports

Reported in EPA TSCA Inventory.

Dihydro-alpha-ionone Safety Profile

A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
Safety Information of Dihydro-alpha-ionone (CAS NO.31499-72-6):
Hazard Codes: XiIrritant
Risk Statements: 36/37/38  
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin 
Safety Statements: 26-36
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing

Dihydro-alpha-ionone Specification

 Dihydro-alpha-ionone ,its CAS NO. is 31499-72-6,the synonyms is 2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- ; 4-(2,2,6-Trimethyl-5-cyclohexen-1-yl)-2-butanone ; AI3-32481 ; EINECS 250-657-4 ; FEMA No. 3628 .

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