4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one
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%
Articles
Yao Xue Xue Bao 43(7) , 724-7, (2008)
One new quinoline alkaloid and seven known bisabolane sesquiterpenes: 2-(2'-methyl-1'-propenyl)-4, 6-dimethyl-7-hydroxyquinoline (1), 2, 5-dihydroxybisabola-3, 10-diene (2), 4, 5-dihydroxybisabola-2,1...
Dehydrozingerone, chalcone, and isoeugenol analogues as in vitro anticancer agents.J. Nat. Prod. 69 , 1445-9, (2006)
Twenty-eight compounds related to dehydrozingerone (1), isoeugenol (3), and 2-hydroxychalcone (4) were synthesized and evaluated in vitro against human tumor cell replication. Except for isoeugenol an...
Anti-tumor agents 255: novel glycyrrhetinic acid-dehydrozingerone conjugates as cytotoxic agents.Bioorg. Med. Chem. 15 , 6193-9, (2007)
Esterification of glycyrrhetinic acid (GA) with dehydrozingerone (DZ) resulted in a novel cytotoxic GA-DZ conjugate. Based on this exciting finding, we conjugated eleven different DZ analogs with GA o...