4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one

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Names

[ CAS No. ]:
1080-12-2

[ Name ]:
4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one

[Synonym ]:
mhsk
(E)-1-(4'-hydroxy-3'-methoxyphenyl)but-1-en-3-one
4-(4-Hydroxy-3-methoxyphenyl)but-3-en-2-one
feruloylmethane
(E)-4-(4-hydroxy-3-methoxyphenyl)but-3-ene-2-one
1-(3'-methoxy-4'-hydroxyphenyl)-1-butene-3-one
Vanillideneacetone
vanillalacetone
MFCD00012210
dehydro(o)-paradol
Dehydrogingerone
(4-hydroxy-3-methoxycinnamoyl)methane
(E)-4-(4-hydroxy-3-methoxy-phenyl)-but-3-en-2-one
EINECS 214-096-9
VANILLYLIDENACETONE
Vanillylideneacetone
4-(4-Hydroxy-3-Methoxyphenyl)-3-buten-2-one
Dehydrozingerone
FEMA 3738

Chemical & Physical Properties

[ Density]:
1.154g/cm3

[ Boiling Point ]:
348.2ºC at 760 mmHg

[ Melting Point ]:
125-130 °C

[ Molecular Formula ]:
C11H12O3

[ Molecular Weight ]:
192.21100

[ Flash Point ]:
136.9ºC

[ Exact Mass ]:
192.07900

[ PSA ]:
46.53000

[ LogP ]:
2.00300

[ Appearance of Characters ]:
yellow

[ Vapour Pressure ]:
2.55E-05mmHg at 25°C

[ Index of Refraction ]:
1.579

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EM9960000
CHEMICAL NAME :
3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-
CAS REGISTRY NUMBER :
1080-12-2
BEILSTEIN REFERENCE NO. :
2049660
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C11-H12-O3
MOLECULAR WEIGHT :
192.23

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSIDW Indian Journal of Pharmaceutical Sciences. (Kalina, Santa Cruz (East), Bombay 400 029, India) V.40(2)- 1978- Volume(issue)/page/year: 43,226,1981
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 37,708,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
610 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 37,708,1987

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
36/37/38

[ Safety Phrases ]:
S26-S36/37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
EM9960000

[ HS Code ]:
2914509090

Synthetic Route

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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Related Compounds

  • 4-(3-ethoxy-4-hydroxyphenyl)but-3-en-2-one
  • .alpha.-Acetyl-4-hydroxy-.beta.-(hydroxymethyl)-3-methoxy-cinnamic acid .gamma.-lactone
  • 4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
  • 4-(4-hydroxy-3,5-dimethoxyphenyl)but-3-en-2-one
  • 4-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
  • 4-(m-Methoxyphenyl)-3-buten-2-one semicarbazone