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

Modify Date: 2024-01-12 13:08:19

4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one Structure
4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one structure
 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 Chinese USA 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

 Synthetic Route

Vanillin structure

Vanillin

CAS#:121-33-5

Acetone structure

Acetone

CAS#:67-64-1

~95%

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

4-(4-hydroxy-3-...

CAS#:1080-12-2

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

Vanillin

CAS#:121-33-5

1-(Triphenylphosphoranylidene)propan-2-one structure

1-(Triphenylpho...

CAS#:29942-64-1

~83%

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

4-(4-hydroxy-3-...

CAS#:1080-12-2

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

Vanillin

CAS#:121-33-5

Acetonitrile structure

Acetonitrile

CAS#:75-05-8

~49%

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

4-(4-hydroxy-3-...

CAS#:1080-12-2

Literature: Green Chemistry, , vol. 14, # 9 p. 2375 - 2379
4-(4-((tert-butyldimethylsiloxy)-methyl)-3-methoxyphenyl)-but-3-ene-2-one structure

4-(4-((tert-but...

CAS#:911682-18-3

~%

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

4-(4-hydroxy-3-...

CAS#:1080-12-2

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

coniferyl aldehyde

CAS#:458-36-6

~%

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

4-(4-hydroxy-3-...

CAS#:1080-12-2

Literature: Chemical and Pharmaceutical Bulletin, , vol. 54, # 3 p. 377 - 379
(2E)-3-[4-[[tert-butyldimethylsilyl]oxy]-3-methoxyphenyl]acrylaldehyde structure

(2E)-3-[4-[[ter...

CAS#:290820-47-2

~%

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

4-(4-hydroxy-3-...

CAS#:1080-12-2

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

N/A

CAS#:911682-17-2

~%

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

4-(4-hydroxy-3-...

CAS#:1080-12-2

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

Vanillin

CAS#:121-33-5

~%

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

4-(4-hydroxy-3-...

CAS#:1080-12-2

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

 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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 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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Chemsrc provides CAS#:1080-12-2 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one>> amp version: 4-(4-hydroxy-3-methoxyphenyl)-3-buten-2-one

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