Welcome to LookChem.com Sign In|Join Free

Product Name

  • or
Home > Products > 

Benzeneacetaldehyde,4-methyl-

  • Name Benzeneacetaldehyde,4-methyl-
  • EINECS203-173-2
  • CAS No. 104-09-6
  • Density1.042 g/cm3
  • PSA17.07000
  • LogP1.73640
  • SolubilityN/A
  • Melting Point40°C
  • FormulaC9H10O
  • Boiling Point220.1 °C at 760 mmHg
  • Molecular Weight134.178
  • Flash Point102.1 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 104-09-6 (P-METHYLPHENYLACETALDEHYDE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data114

Benzeneacetaldehyde,4-methyl- Specification

The Benzeneacetaldehyde,4-methyl- is an organic compound with the formula C9H10O. The IUPAC name of this chemical is 2-(4-methylphenyl)acetaldehyde. With the CAS registry number 104-09-6 and EINECS 203-173-2, it is also named as Methylphenylacetaldehyde, p-. The product's categories are Benzene Derivatives; Aromatic Aldehydes & Derivatives (substituted); Aldehydes; Phenyls & Phenyl-Het.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 17.07 Å2; (9)Index of Refraction: 1.512; (10)Molar Refractivity: 40.81 cm3; (11)Molar Volume: 135.8 cm3; (12)Polarizability: 16.17×10-24 cm3; (13)Surface Tension: 34.9 dyne/cm; (14)Enthalpy of Vaporization: 45.65 kJ/mol; (15)Vapour Pressure: 0.115 mmHg at 25°C; (16)Rotatable Bond Count: 2; (17)Tautomer Count: 2; (18)Exact Mass: 134.073165; (19)MonoIsotopic Mass: 134.073165; (20)Topological Polar Surface Area: 17.1; (21)Heavy Atom Count: 10; (22)Complexity: 101.

Preparation of Benzeneacetaldehyde,4-methyl-: It can be obtained by 4-methyl-aniline and p-tolyl-vinyl ether. This reaction which has two steps needs reagents sodium nitrite, hydrochloric acid, copper(II) chloride dihydrate, sodium hydrogen carbonate, calcium carbonate and solvents H2O, acetone at temperature of 25 - 30 °C. The reaction PH is 3-4. The yield is 44.

Uses OF Benzeneacetaldehyde,4-methyl-: It can react with 3-Methyl-glutaconsaeure-dimethylester to get 3-methyl-2-(2-p-tolyl-vinyl)-pent-2-enedioic acid 1-methyl ester. This reaction needs reagent MeONa and solvent diethyl ether at temperature of 20 °C. The reaction time is 2 hours. The yield is 60%.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=CCc1ccc(C)cc1
2. InChI:InChI=1/C9H10O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,7H,6H2,1H3
3. InChIKey:CIXAYNMKFFQEFU-UHFFFAOYAM

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 104-09-6
Related Products

Hot Products

Post a RFQ