1080-12-2

1080-12-2 structure
1080-12-2 structure

Name 4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one
Synonyms 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
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 yellow
Vapour Pressure 2.55E-05mmHg at 25°C
Index of Refraction 1.579

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
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

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Literature: Synthesis, , # 22 p. 3675 - 3681

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Literature: Phosphorus, Sulfur and Silicon and Related Elements, , vol. 143, p. 33 - 44

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Literature: Green Chemistry, , vol. 14, # 9 p. 2375 - 2379

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Literature: Chemical and Pharmaceutical Bulletin, , vol. 54, # 3 p. 377 - 379

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Literature: Chemical and Pharmaceutical Bulletin, , vol. 54, # 3 p. 377 - 379

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Literature: Chemical and Pharmaceutical Bulletin, , vol. 54, # 3 p. 377 - 379

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Literature: Chemical and Pharmaceutical Bulletin, , vol. 54, # 3 p. 377 - 379

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Literature: Journal of the Chemical Society, , p. 1568,1570 Zhurnal Obshchei Khimii, , vol. 18, p. 1386,1390 Chem.Abstr., , p. 2185
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%