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CAS No.: | 5406-12-2 |
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Name: | 3-(4-METHYLPHENYL)PROPIONALDEHYDE |
Article Data: | 98 |
Molecular Structure: | |
Formula: | C10H12O |
Molecular Weight: | 148.205 |
Synonyms: | Hydrocinnamaldehyde,p-methyl- (6CI,7CI,8CI);3-(4-Methylphenyl)propanal;3-(p-Methylphenyl)propanal;3-(p-Tolyl)propionaldehyde;3-p-Tolylpropanal;4-Methylbenzenepropanal;NSC 5304;p-Methylhydrocinnamic aldehyde; |
EINECS: | 226-460-4 |
Density: | 0.972 g/cm3 |
Boiling Point: | 225 °C at 760 mmHg |
Flash Point: | 99.4 °C |
PSA: | 17.07000 |
LogP: | 2.12650 |
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The Benzenepropanal,4-methyl-, with the CAS registry number 5406-12-2, is also known as p-Methylhydrocinnamic aldehyde. Its EINECS registry number is 226-460-4. This chemical's molecular formula is C10H12O and molecular weight is 148.2. Its IUPAC name is called 3-(4-methylphenyl)propanal.
Physical properties of Benzenepropanal,4-methyl-: (1)ACD/LogP: 2.50; (2)ACD/LogD (pH 5.5): 2.5; (3)ACD/LogD (pH 7.4): 2.5; (4)ACD/BCF (pH 5.5): 46.45; (5)ACD/BCF (pH 7.4): 46.45; (6)ACD/KOC (pH 5.5): 543.02; (7)ACD/KOC (pH 7.4): 543.02; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.508; (11)Molar Refractivity: 45.44 cm3; (12)Molar Volume: 152.3 cm3; (13)Surface Tension: 34.8 dyne/cm; (14)Density: 0.972 g/cm3; (15)Flash Point: 99.4 °C; (16)Enthalpy of Vaporization: 46.15 kJ/mol; (17)Boiling Point: 225 °C at 760 mmHg; (18)Vapour Pressure: 0.0885 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)CCC=O
(2)InChI: InChI=1S/C10H12O/c1-9-4-6-10(7-5-9)3-2-8-11/h4-8H,2-3H2,1H3
(3)InChIKey: ABGZWIFTZXUDGF-UHFFFAOYSA-N