CAS 1080-12-2|4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one

Introduction：Basic information about CAS 1080-12-2|4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles25
7. Synonyms

Common Name	4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one
CAS Number	1080-12-2	Molecular Weight	192.21100
Density	1.154g/cm3	Boiling Point	348.2ºC at 760 mmHg
Molecular Formula	C₁₁H₁₂O₃	Melting Point	125-130 °C
MSDS	ChineseUSA	Flash Point	136.9ºC

Names

Name	4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one
Synonym	More Synonyms

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

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

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%

Articles25

Alkaloid and sesquiterpenes from the root tuber of Curcuma longa.

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...

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

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