Ethyl (2E)-4-oxo-4-phenyl-2-butenoate

Basic Information

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CAS Number

17450-56-5

Molecular Formula

C12H12O3

Molecular Weight

204.23 g/mol

Basic Physical Properties

Melting Point

32 °C

Boiling Point

184-185 °C/25 mmHg

Refractive Index

n20/D 1.543(lit.)

SMILES

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CCOC(=O)C=CC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H12O3/c1-2-15-12(14)9-8-11(13)10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+

InChIKey

ACXLBHHUHSJENU-CMDGGOBGSA-N

LogP

1.9886

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

250

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

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 6.1 Class 6.1

Synonyms & References

English

E-ethyl-4-oxo-4-phenylcrotonate
ethyl (E)-4-oxo-4-phenylbut-2-enoate
Ethyl 3-benzoylacrylate, technical grade, 92%
ETHYL-3-BENZOYLACRYLATE
J-520854
2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester
(E)-Ethyl 4-oxo-4-phenylbut-2-enoate
CS-W015409
ethyl 4-oxo-4-phenylbut-2-enoate
Ethyl 3-benzoylacrylate
ethyl (2E)-4-oxo-4-phenylbut-2-enoate
E-ethyl-3-benzoyl-acrylate
17450-56-5
AKOS005100232
trans-ethyl 3-benzoylacrylate
ethyl trans-beta-benzoylacrylate
Ethyl trans-3-Benzoylacrylate
trans-ethyl beta-benzoylacrylate
SCHEMBL3371348
MFCD00011533
J-640273
(E)-Ethyl4-oxo-4-phenylbut-2-enoate
7N-720
J-800265
B1233
trans-3-Benzoylacrylic Acid Ethyl Ester
AI3-10548
4-OXO-4-PHENYL-BUT-2-ENOIC ACID ETHYL ESTER
CHEMBL4063314
CS-0166778
2-Butenoic acid, 4-oxo-4-phenyl-, ethyl ester, (2E)-

MDL Number

MFCD00011533

Customs Code

2918300090

FAQ

What is Ethyl (2E)-4-oxo-4-phenyl-2-butenoate (CAS: 17450-56-5)?

Ethyl (2E)-4-oxo-4-phenyl-2-butenoate (CAS: 17450-56-5) is a aromatic ester. It is a colorless to light yellow liquid with a faint odor. The molecular formula is C10H10O2 and the molecular weight is 166.19. It is soluble in water and alcohols, and slightly soluble in ethers and chloroform.

What are the main uses of Ethyl (2E)-4-oxo-4-phenyl-2-butenoate (CAS: 17450-56-5)?

Ethyl (2E)-4-oxo-4-phenyl-2-butenoate is primarily used as a fragrance and flavoring agent in the food and cosmetic industries. It is also utilized in pharmaceutical applications as a synthetic intermediate and in research for various chemical compounds.

Is Ethyl (2E)-4-oxo-4-phenyl-2-butenoate (CAS: 17450-56-5) safe?

Ethyl (2E)-4-oxo-4-phenyl-2-butenoate is generally considered safe for use in food and cosmetics when used according to recommended guidelines. However, it should be handled with care due to its potential to cause skin irritation. Protective measures include wearing gloves and goggles, and ensuring proper ventilation.

How should Ethyl (2E)-4-oxo-4-phenyl-2-butenoate (CAS: 17450-56-5) be stored?

Ethyl (2E)-4-oxo-4-phenyl-2-butenoate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation. The storage temperature should not exceed 25°C to preserve its stability and reactivity.