Benzeneacetaldehyde,3-methoxy-a-oxo- supplier

Name
3-METHOXYPHENYLGLYOXAL HYDRATE
EINECS -0
CAS No. 32025-65-3
Article Data1
CAS DataBase
Density 1.153 g/cm³
Solubility
Melting Point 99-100°C
Formula C₉H₈O₃
Boiling Point 264.3 °C at 760 mmHg
Molecular Weight 164.161
Flash Point 113.5 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms Glyoxal,(m-methoxyphenyl)- (6CI,8CI);(m-Methoxyphenyl)glyoxal;(3-methoxyphenyl)(oxo)acetaldehyde;2-(3-methoxyphenyl)-2-oxoacetaldehyde;
PSA 52.60000
LogP 1.01250

Benzeneacetaldehyde,3-methoxy-a-oxo- Specification

The Benzeneacetaldehyde,3-methoxy-a-oxo-, with the CAS registry number 32025-65-3, has the systematic name of (3-methoxyphenyl)(oxo)acetaldehyde. It is a kind of potent inhibitor of sulfate exchange in the red blood cell mmembrane. And the molecular formula of the chemical is C₉H₈O₃.

The characteristics of Benzeneacetaldehyde,3-methoxy-a-oxo- are as followings: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 4.14; (6)ACD/BCF (pH 7.4): 4.14; (7)ACD/KOC (pH 5.5): 96.27; (8)ACD/KOC (pH 7.4): 96.27; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 43.14 cm³; (15)Molar Volume: 142.2 cm³; (16)Polarizability: 17.1×10^-24cm³; (17)Surface Tension: 40 dyne/cm; (18)Density: 1.153 g/cm³; (19)Flash Point: 113.5 °C; (20)Enthalpy of Vaporization: 50.21 kJ/mol; (21)Boiling Point: 264.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00981 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=CC(=O)c1cc(OC)ccc1
(2)InChI: InChI=1/C9H8O3/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-6H,1H3
(3)InChIKey: SIHYQEYAJMDKQH-UHFFFAOYAB

Product Name

3-METHOXYPHENYLGLYOXAL HYDRATE

Benzeneacetaldehyde,3-methoxy-a-oxo- Specification

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