Acetovanillone

Names

[ CAS No. ]:
498-02-2

[ Name ]:
Acetovanillone

[Synonym ]:
4'-hydroxy-3'-methoxyacetophenone
MFCD00008747
Acetovanillone
Apocynin
Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-
1-(4-Hydroxy-3-methoxyphenyl)ethanone
EINECS 207-854-5

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
297.5±0.0 °C at 760 mmHg

[ Melting Point ]:
112-115 °C(lit.)

[ Molecular Formula ]:
C₉H₁₀O₃

[ Molecular Weight ]:
166.174

[ Flash Point ]:
125.5±15.8 °C

[ Exact Mass ]:
166.062988

[ PSA ]:
46.53000

[ LogP ]:
1.39

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.538

[ Storage condition ]:
Refrigerator

[ Water Solubility ]:
soluble in hot water

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AM8800000

CHEMICAL NAME :: Acetophenone, 4'-hydroxy-3'-methoxy-

CAS REGISTRY NUMBER :: 498-02-2

BEILSTEIN REFERENCE NO. :: 0637373

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C9-H10-O3

MOLECULAR WEIGHT :: 166.19

WISWESSER LINE NOTATION :: 1VR DQ CO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 9 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 650 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex)

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Yeast - Saccharomyces cerevisiae

DOSE/DURATION :: 400 mg/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 119,273,1983

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
AM8800000

[ HS Code ]:
2942000000

Precursor & DownStream

Precursor

Guaiacol acetate
1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone
Apocynol
3,4-Dimethoxyacetophenone
1,2-Dimethoxybenzene
Acetyl chloride
1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1-ethanol

DownStream

4-(4-Acetyl-2-methoxy-5-nitrophenoxy)-butanoic Acid Ethyl Ester
4-Acetyl-2-methoxyphenyl acetate
a-D-Glucopyranose, 6-deoxy-,tetraacetate (9CI)
(2R,3S,4R,5R,6S)-2-(4-acetyl-2-methoxyphenoxy)-6-methyltetrahydro-2H-pyran-3,4,5-triyl triacetate
1,2,3,4,6-penta-O-acetylgalactopyranose
4-BENZYLOXY-1-ETHYNYL-3-METHOXY-BENZENE
1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanone
1-(4-(BENZYLOXY)-3-HYDROXYPHENYL)ETHANONE
Ethanone, 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)- (9CI)

Customs

[ HS Code ]: 2914509090

[ Summary ]:
HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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