CAS No.1080-12-2,4-(4-HYDROXY-3-METHOXYPHENYL)-3-BUTEN-2-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1080-12-2
Name:	4-(4-HYDROXY-3-METHOXYPHENYL)-3-BUTEN-2-ONE
Article Data:	108

Formula:	C11H12 O3
Molecular Weight:	192.214
Synonyms:	3-Methoxy-4-hydroxybenzalacetone;4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one;4-Hydroxy-3-methoxybenzylideneacetone; 4-Hydroxy-3-methoxystyryl methyl ketone;Dehydro[0]-paradol; Dehydrogingerone; Dehydrozingerone; Feruloylmethane; NSC26613; NSC 4019; NSC 44708; NSC 45411; NSC 5316; Vanillalacetone; [0]-Paradol,dehydro-
Density:	1.154g/cm3
Melting Point:	125-130oC
Boiling Point:	348.2oC at 760 mmHg
Flash Point:	136.9oC
Risk Codes:	36/37/38
Safety:	Moderately toxic by intraperitoneal route. Slightly toxic by ingestion. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA:	46.53000
LogP:	2.00300

Synthetic route

: 121-33-5
vanillin

: 1080-12-2
Dehydrozingerone

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone at 10 - 20℃;	95%
With sodium hydroxide In acetone at 20℃; for 12h;

: 121-33-5
vanillin

: 67-64-1
acetone

: 1080-12-2
Dehydrozingerone

Conditions

Conditions	Yield
With potassium hydroxide In methanol; water for 0.00833333h; Claisen Condensation; Microwave irradiation;	92%
With sodium hydroxide for 0.25h; Irradiation;	88%
With sodium hydroxide In ethanol; water at 20℃;	87%

: 121-33-5
vanillin

: 106-96-7
propargyl bromide

A: 1080-12-2
Dehydrozingerone

B: 132927-15-2
4-(1-hydroxybut-3-ynyl)-2-methoxyphenol

Conditions

Conditions	Yield
With tin In tetrahydrofuran; water; hydrogen bromide for 2h; Ambient temperature; Yield given. Yields of byproduct given;
With tin; hydrogen bromide In tetrahydrofuran for 2h; Ambient temperature; Yield given. Yields of byproduct given;

...Expand

: 1833-53-0
2-(Trimethylsilyloxy)propene

: 121-33-5
vanillin

: 1080-12-2
Dehydrozingerone

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane

: 121-33-5
vanillin

: 67-64-1
acetone

aqueous alcoholic alkaline solution: aqueous alcoholic alkaline solution

: 1080-12-2
Dehydrozingerone

...Expand

glycosidovanillal acetone: glycosidovanillal acetone

: 1080-12-2
Dehydrozingerone

Conditions

Conditions	Yield
With emulsin

: 61152-59-8
4-(4-hydroxyphenyl-3-methoxy)-4-hydroxy-2-butanone

: 1080-12-2
Dehydrozingerone

Conditions

Conditions	Yield
With hydrogenchloride at 20℃;

: 121-33-5
vanillin

iron (II)-chloride: iron (II)-chloride

: 1080-12-2
Dehydrozingerone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aq. NaOH / 20 °C 2: aq. HCl / 20 °C View Scheme

: 122-48-5
4-(4-hydroxy-3-methoxyphenyl)-2-butanone

: 1080-12-2
Dehydrozingerone

Conditions

Conditions	Yield
With eugenol oxidase from Rhodococcus jostii RHA1 In dimethyl sulfoxide at 20℃; for 12h; pH=8; Enzymatic reaction;

: 458-37-7
curcumin

A: 1135-24-6
3-(4-hydroxy-3-methoxyphenyl)acrylic acid

B: 1080-12-2
Dehydrozingerone

C: 121-33-5
vanillin

D: 67-64-1
acetone

Conditions

Conditions	Yield
With water at 29.84℃; pH=7; Kinetics; Reagent/catalyst;

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Chemistry

Product Name: Methyl-3-methoxy-4-hydroxy styryl ketone (CAS NO.1080-12-2)

Molecular Formula: C₁₁H₁₂O₃
Molecular Weight: 192.21g/mol
Mol File: 1080-12-2.mol
Einecs: 214-096-9
Melting Point: 125-130 °C
Boiling point: 348.2 °C at 760 mmHg
Flash Point: 136.9 °C
Density: 1.154 g/cm³
Surface Tension: 43.1 dyne/cm
Enthalpy of Vaporization: 61.59 kJ/mol
Vapour Pressure: 2.55E-05 mmHg at 25°C
XLogP3: 1.7
H-Bond Donor: 1
H-Bond Acceptor: 3
Product Categories: Aromatic Ketones (substituted)

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	610mg/kg (610mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 37, Pg. 708, 1987.
mouse	LDLo	oral	> 2gm/kg (2000mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 37, Pg. 708, 1987.
rat	LD	oral	> 1gm/kg (1000mg/kg)	Indian Journal of Pharmaceutical Sciences. Vol. 43, Pg. 226, 1981.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by intraperitoneal route. Slightly toxic by ingestion. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
Safety Information of Methyl-3-methoxy-4-hydroxy styryl ketone (CAS NO.1080-12-2):
Risk Statements: 36/37/38
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 26-36/37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection

Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

Specification

Methyl-3-methoxy-4-hydroxy styryl ketone ,its CAS NO. is 1080-12-2,the synonyms is Vanillylidenacetone ; Vanillylideneacetone ; Vanillylidine acetone ; 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one ; 4-(4-Hydroxy-3-methoxyphenyl)-3-butene-2-one ; 4-(4-Hydroxy-3-methoxyphenyl)but-3-en-2-one ; Fema 3738 ; Dehydrozingerone .