Welcome to LookChem.com Sign In|Join Free

Product Name

  • or
Home > Products > 

Alpha-isomethylionone

  • Name Alpha-isomethylionone
  • EINECS204-846-3
  • CAS No. 127-51-5
  • Density0.929 g/cm3
  • PSA17.07000
  • LogP3.90420
  • Solubility27.953mg/L at 25℃
  • Melting PointN/A
  • FormulaC14H22O
  • Boiling Point285.3 °C at 760 mmHg
  • Molecular Weight206.328
  • Flash Point122.1 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety24/25
  • Risk Codes43
  • Molecular Structure
    Molecular Structure of 127-51-5 (ALPHA-ISO-METHYLIONONE)
  • Hazard SymbolsXi
  • SynonymsXi
  • Article Data6

Alpha-isomethylionone Specification

The IUPAC name of α-Isomethylionone is (E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one. With the CAS registry number 127-51-5, it is also named as 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one. The product is pale yellow liquid. When you are using this chemical, please avoid contact with skin and eyes. In addition, its molecular formula is C14H22O and molecular weight is 206.32.

The other characteristics of α-Isomethylionone can be summarized as: (1)EINECS: 204-846-3; (2)ACD/LogP: 4.41; (3)# of Rule of 5 Violations: 0; (4)#H bond acceptors: 1; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 17.07 Å2; (8)Index of Refraction: 1.508; (9)Molar Refractivity: 66.18 cm3; (10)Molar Volume: 221.9 cm3; (11)Polarizability: 26.23×10-24cm3; (12)Surface Tension: 32.1 dyne/cm; (13)Density: 0.929 g/cm3; (14)Flash Point: 122.1 °C; (15)Enthalpy of Vaporization: 52.44 kJ/mol; (16)Boiling Point: 285.3 °C at 760 mmHg; (17)Vapour Pressure: 0.00282 mmHg at 25 °C.

Production and Uses of α-Isomethylionone: frist of all, you can produce Pseudoionone by the reaction of Citral with Butanone. And then you would obtain this chemical by Cyclization of Pseudoionone. Additionally, it is used as food flavor. It can also be used to deploy the chemical.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(\C(=C\C1C(=C/CCC1(C)C)\C)C)C
(2)InChI: InChI=1/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
(3)InChIKey: JRJBVWJSTHECJK-PKNBQFBNBZ
(4)Std. InChI: InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
(5)Std. InChIKey: JRJBVWJSTHECJK-PKNBQFBNSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 127-51-5
Related Products

Hot Products

Post a RFQ