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57295-30-4

Basic Information
CAS No.: 57295-30-4
Name: 3-HYDROXY-4-METHYL-BENZALDEHYDE
Article Data: 13
Molecular Structure:
Molecular Structure of 57295-30-4 (3-HYDROXY-4-METHYL-BENZALDEHYDE)
Formula: C8H8O2
Molecular Weight: 136.15
Synonyms: 3-Hydroxy-4-methylbenzaldehyde;3,4-Cresotaldehyde(7CI);
Density: 1.175 g/cm3
Melting Point: 73-74 °C
Boiling Point: 252.4 °C at 760mmHg
Flash Point: 104.1 °C
Hazard Symbols: Xi
Risk Codes: 41
Safety: 26-39
PSA: 37.30000
LogP: 1.51310
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  • Benzaldehyde,3-hydroxy-4-methyl-

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Specification

The Benzaldehyde,3-hydroxy-4-methyl- is an organic compound with the formula C8H8O2. Its CAS registry number is 57295-30-4. The IUPAC name of this chemical is 3-Hydroxy-4-methylbenzaldehyde. In addition, the molecular weight is 136.15. It belongs to the product category of Aromatic Aldehydes & Derivatives (substituted).

Physical properties about Benzaldehyde,3-hydroxy-4-methyl- are: (1)ACD/LogP: 1.71; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.74; (6)ACD/BCF (pH 7.4): 11.67; (7)ACD/KOC (pH 5.5): 202.95; (8)ACD/KOC (pH 7.4): 201.66; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 39.71 cm3; (15)Molar Volume: 115.8 cm3; (16)Polarizability: 15.74×10-24 cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.175 g/cm3; (19)Flash Point: 104.1 °C; (20)Enthalpy of Vaporization: 50.96 kJ/mol; (21)Boiling Point: 252.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0121 mmHg at 25 °C.

Uses of Benzaldehyde,3-hydroxy-4-methyl-: it can be used to produce other chemicals. For example, it is used to produce 3-benzoyloxy-4-methylbenzaldehyd with benzoyl chloride. The reaction occurs with reagent 5N aq. NaOH and solvent diethyl ether. The yield is 86 %. The reaction equation is as followed:

Benzaldehyde,3-hydroxy-4-methyl- can be used to produce 3-benzoyloxy-4-methylbenzaldehyd with benzoyl chloride.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc(O)c(cc1)C
(2) InChI: InChI=1/C8H8O2/c1-6-2-3-7(5-9)4-8(6)10/h2-5,10H,1H3
(3) InChIKey: DHVJHJQBQKKPNB-UHFFFAOYAT