(2E)-2-Butenoic acid

Basic Information

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CAS Number

107-93-7

Molecular Formula

C4H6O2

Molecular Weight

86.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

71.0 to 73.0 deg-C

Boiling Point

185°C

Water Solubility

94 g/L (25 ºC)

Solubility

H2O: soluble

Refractive Index

1.4228

Vapor Pressure

0.19 mmHg ( 20 °C)

SMILES

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C/C=C/C(=O)O

InChI

InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+

InChIKey

LDHQCZJRKDOVOX-NSCUHMNNSA-N

LogP

0.6471

pKa

4.69(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

73.6

Safety Information

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GHS Hazard Pictograms

H302

H312

H314

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Explosive Limit

15.1%, 171°F

Toxicity

LD50 orally in rats: 1.0 g/kg (Smyth, Carpenter)

Synonyms & References

English

(E)-But-2-enoic acid
trans-2-Butenoic acid
trans-3-Methylacrylic acid
Crotonic Acid
Butenoic acid
CROTONIC ACID(RG)
TRANS-CROTONIC ACID
1-Carboxypropylene
Solid crotonic acid
α-Butenic acid
α-Crotonic acid
β-Methylacrylic acid
(E)-2-Butenoic acid
(E)-Crotonic acid
NSC 8751
FEMA 3908
Crotonate
-Butenicacid
(e)-crotonicaci
CrotonicAcid99%
(e)-crotonicacid
(E)-CH3CH=CHCOOH
trans-Crotonic acid
BUTENOIC ACID
Crotonic acid
butenoic acid

MDL Number

MFCD00002701

Customs Code

29161940

FAQ

What is (2E)-2-Butenoic acid (CAS: 107-93-7)?

(2E)-2-Butenoic acid, also known as allyl formic acid, is a colorless liquid with a pungent, fruity odor. It has the chemical formula C4H6O2. This compound is used in the pharmaceutical industry for drug synthesis, in the food industry as a flavoring agent, and in research for organic synthesis. It is also used as a solvent and reagent in laboratory settings.

What are the main uses of (2E)-2-Butenoic acid (CAS: 107-93-7)?

(2E)-2-Butenoic acid (CAS: 107-93-7) is primarily used in the pharmaceutical industry for the synthesis of certain drugs, as a flavoring agent in the food industry, and as a reagent in organic synthesis. It is also used in laboratories as a solvent and reagent for various chemical reactions.

Is (2E)-2-Butenoic acid (CAS: 107-93-7) safe?

(2E)-2-Butenoic acid (CAS: 107-93-7) can be safe to handle with proper precautions. It is flammable and may cause irritation to the eyes, skin, and respiratory system. It is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a well-ventilated area and kept away from heat and sources of ignition. Ingestion or inhalation should be avoided, and immediate medical attention is required if exposure occurs.

How should (2E)-2-Butenoic acid (CAS: 107-93-7) be stored?

(2E)-2-Butenoic acid (CAS: 107-93-7) should be stored in a cool, well-ventilated area away from heat and sources of ignition. It should be kept in tightly sealed containers to prevent evaporation and moisture absorption. Avoid exposure to light and store below 25°C (77°F). It is important to label the container properly with the appropriate hazard symbols and safety data sheet (SDS) information.