Warfarin EP Impurity C ((E)-Benzalacetone)

Basic Information

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CAS Number

1896-62-4

Molecular Formula

C10H10O

Molecular Weight

146.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

39.0 to 43.0 deg-C

Boiling Point

260-262 °C

Density

1,038 g/cm3

Solubility

alcohol: freely soluble(lit.)

Refractive Index

1.5836 (estimate)

Vapor Pressure

0.01 mmHg ( 25 °C)

SMILES

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CC(=O)C=Cc1ccccc1

InChI

InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3

InChIKey

BWHOZHOGCMHOBV-UHFFFAOYSA-N

LogP

2.2888

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

152

Safety Information

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GHS Hazard Pictograms

H315

H317

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 9 Class 9

Synonyms & References

English

Benzalacetone
Benzylideneacetone
4-Phenylbut-3-en-2-one
Methyl styryl ketone
(E)-4-phenylbut-3-en-2-one
Acetocinnamone
4-PHENYL-3-BUTEN-2-ONE
trans-Benzylideneacetone
Benzylidene acetone
4-Phenylbutenone
Methyl trans-styryl ketone
Benzalaceton
trans-Benzalacetone
Styryl methyl ketone
(E)-4-Phenyl-3-buten-2-one
Benzilideneacetone
Benzilidene acetone
2-Phenylvinyl methyl ketone
trans-4-Phenyl-3-buten-2-one
TPBO
trans-Benzylidenacetone
Methyl 2-phenylvinyl ketone
trans-4-Phenyl-3
Methyl trans-Styryl Ketone
Tpbo
FEMA 2881
BENZALAOETONE
ACETOCINNAMONE
(e)-3-buten-2-on
BENZYLIDENACETONE
TRANS-BENZALACETONE

MDL Number

MFCD00008779

FAQ

What is Warfarin EP Impurity C ((E)-Benzalacetone) (CAS: 1896-62-4)?

Warfarin EP Impurity C, also known as (E)-Benzalacetone, is a compound with the CAS number 1896-62-4. It is a benzaldehyde derivative and is an impurity found in the synthesis of warfarin. It has a molecular formula of C9H8O2 and a molecular weight of 152.16 g/mol. It is a colorless to pale yellow liquid with a characteristic odor.

What are the main uses of Warfarin EP Impurity C ((E)-Benzalacetone) (CAS: 1896-62-4)?

Warfarin EP Impurity C is primarily used as a by-product in the synthesis and purification of warfarin, a vitamin K antagonist used in the prevention of blood clots. It is also used in analytical chemistry as a standard reference material for qualitative and quantitative analysis.

Is Warfarin EP Impurity C ((E)-Benzalacetone) (CAS: 1896-62-4) safe?

Warfarin EP Impurity C is generally considered safe for laboratory use when handled under proper conditions. However, it is toxic and should be treated with care. It is important to follow safety guidelines, use proper personal protective equipment, and store it in a secure, well-ventilated area away from sources of heat and ignition. Inhalation, ingestion, or skin contact can be hazardous.

How should Warfarin EP Impurity C ((E)-Benzalacetone) (CAS: 1896-62-4) be stored?

Warfarin EP Impurity C should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and heat sources. It should be kept below 25°C (77°F) to avoid degradation. The container should be sealed to prevent exposure to air, which can lead to oxidation. It is essential to keep it away from incompatible substances and to ensure good ventilation in the storage area.