Benzeneacetaldehyde,4-hydroxy-3-methoxy- supplier

Name
2-(4-hydroxy-3-methoxy-phenyl)acetaldehyde
EINECS
CAS No. 5703-24-2
Article Data7
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point
Formula C₉H₁₀O₃
Boiling Point 310.5 °C at 760 mmHg
Molecular Weight 166.177
Flash Point 126.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetaldehyde,(4-hydroxy-3-methoxyphenyl)- (6CI,7CI,8CI);3-Methoxy-4-hydroxyphenylacetaldehyde;4-Hydroxy-3-methoxyphenylacetaldehyde;Homovanillin;
PSA 46.53000
LogP 1.14220

Benzeneacetaldehyde,4-hydroxy-3-methoxy- Specification

The Benzeneacetaldehyde,4-hydroxy-3-methoxy-, with the CAS registry number 5703-24-2, is also known as Homovanillin. This chemical's molecular formula is C₉H₁₀O₃ and molecular weight is 166.1739. What's more, its IUPAC name and systematic name are the same which is called 2-(4-Hydroxy-3-methoxyphenyl)acetaldehyde.

Physical properties about Benzeneacetaldehyde,4-hydroxy-3-methoxy-: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.18; (6)ACD/BCF (pH 7.4): 2.17; (7)ACD/KOC (pH 5.5): 60.76; (8)ACD/KOC (pH 7.4): 60.6; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 44.54 cm³; (15)Molar Volume: 142 cm³; (16)Surface Tension: 43.3 dyne/cm; (17)Density: 1.17 g/cm³; (18)Flash Point: 126.4 °C; (19)Enthalpy of Vaporization: 57.33 kJ/mol; (20)Boiling Point: 310.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000328 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=CCc1cc(OC)c(O)cc1
(2) InChI: InChI=1/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3
(3) InChIKey: GOQGGGANVKPMNH-UHFFFAOYAU

Product Name

2-(4-hydroxy-3-methoxy-phenyl)acetaldehyde

Benzeneacetaldehyde,4-hydroxy-3-methoxy- Specification

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