Products Categories
CAS No.: | 104-09-6 |
---|---|
Name: | P-METHYLPHENYLACETALDEHYDE |
Article Data: | 114 |
Molecular Structure: | |
Formula: | C9H10O |
Molecular Weight: | 134.178 |
Synonyms: | Acetaldehyde,p-tolyl- (6CI,7CI,8CI);(4-Methylphenyl)acetaldehyde;2-(4-Methylphenyl)acetaldehyde;p-Methylphenylacetaldehyde;p-Tolylacetaldehyde; |
EINECS: | 203-173-2 |
Density: | 1.042 g/cm3 |
Melting Point: | 40°C |
Boiling Point: | 220.1 °C at 760 mmHg |
Flash Point: | 102.1 °C |
PSA: | 17.07000 |
LogP: | 1.73640 |
What can I do for you?
Get Best Price
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