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Acetovanillone

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Acetovanillone

EINECS 207-854-5
CAS No. 498-02-2 Density 1.158 g/cm3
Solubility soluble in hot water Melting Point 112-115 °C(lit.)
Formula C9H10O3 Boiling Point 297.5 °C at 760 mmHg
Molecular Weight 166.19 Flash Point 125.5 °C
Transport Information Appearance yellowish to brown powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 498-02-2 (Acetovanillone) Hazard Symbols IrritantXi
Synonyms

Acetophenone,4'-hydroxy-3'-methoxy- (8CI);1-(4-Hydroxy-3-methoxyphenyl)ethanone;2-Methoxy-4-acetylphenol;3'-Methoxy-4'-hydroxyacetophenone;4-Acetyl-2-methoxyphenol;4-Acetylguaiacol;4-Hydroxy-3-methoxyphenyl methylketone;4'-Hydroxy-3'-methoxyacetophenone;Acetoguaiacon;Acetoguaiacone;Acetoguaicone;Apocynin;Apocynine;

 

Acetovanillone Chemical Properties

Molecular Structure of Acetovanillone (CAS NO.498-02-2):

IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethanone
CAS: 498-02-2
Molecular Formula: C9H10O3
Molecular Weight: 166.17
EINECS: 207-854-5
Melting point: 112-115 °C(lit.)
Boiling point: 263-265 °C17 mm Hg(lit.)
Flash point: >230 °F
Water Solubility: soluble in hot water
Merck:  14,741
BRN:  637373
Index of Refraction: 1.537
Molar Refractivity: 44.84 cm3
Molar Volume: 143.3 cm3
Polarizability: 17.77*10-24cm3
Surface Tension: 41.5 dyne/cm
Density: 1.158 g/cm3
Enthalpy of Vaporization: 55.89 kJ/mol
Vapour Pressure: 0.000759 mmHg at 25°C
InChI
InChI=1/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
Smiles
c1(cc(ccc1O)C(C)=O)OC
Product Categories: Fine chemical & intermediates; Aromatic Acetophenones & Derivatives (substituted); pharmacetical; Adehydes, Acetals & Ketones; Anisoles, Alkyloxy Compounds & Phenylacetates; Phenols

Acetovanillone Uses

 Acetovanillone (CAS NO.498-02-2) is a plant-derived, cartilage-saving drug which might be mainly used in the treatment of rheumatoid arthritis.

Acetovanillone Toxicity Data With Reference

1.    

mmo-smc 400 mg/L

    MUREAV    Mutation Research. 119 (1983),272.
2.    

orl-mus LD50:9 g/kg

    BCTKAG    Bromatologia i Chemia Toksykologiczna. 14 (1984),301.
3.    

ipr-mus LD50:650 mg/kg

    JMCMAR    Journal of Medicinal Chemistry. 7 (1964),178.

Acetovanillone Consensus Reports

Reported in EPA TSCA Inventory.

Acetovanillone Safety Profile

Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.
Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 2
HS Code: 29145000

Acetovanillone Specification

 Acetovanillone (CAS NO.498-02-2) is also named as 4-Hydroxy-3-methoxyacetophenone ; Apocynin ; Acetovanillone~Apocynin ; 4-Hydroxy-3-methoxybenzoic acid ; 3-Methoxy-4-Hydroxy Acetophenone and so on. It is usually light yellow to yellow solid with faint vanilla odor.

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