4-Methyl-2-pentenoic acid

Basic Information

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CAS Number

10321-71-8

Molecular Formula

C6H10O2

Molecular Weight

114.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

100.5-101.0 ºC (ligroine )

Boiling Point

212°C

Water Solubility

Slightly soluble in water. Soluble in acetone, ether, ethanol.

Flash Point

106.0±9.6 ºC,

Refractive Index

1.46689

SMILES

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CC(C)C=CC(=O)O

InChI

InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)

InChIKey

QAOXMQCWUWZZNC-UHFFFAOYSA-N

LogP

1.2832000000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

103

Safety Information

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Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

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

Hazard Class

Class 8 Class 8

Synonyms & References

English

4-Methyl-2-pentenoic acid
4-Methyl-2-pentenoic acid, (2E)-
0QP1933PTD
SCHEMBL43207
16666-43-6
LMFA01020112
4-methyl-2-pentenoic acid (stabilized with hq)
FEMA No. 4180, E-
trans-4-methyl-pent-2-enoic acid
EINECS 233-706-4
MFCD00043804
664UX09YV9
J-000906
2-pentenoic acid, 4-methyl-, (2E)-
(2E)-4-Methyl-2-pentenoic acid #
4-methyl-2E-pentenoic acid
4-methyl-pent-2-enoic acid, AldrichCPR
trans-4-Methyl-2-pentenoic acid
AKOS004908022
InChI=1/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3
UNII-0QP1933PTD
EN300-76533
(E)-4-Methyl-2-pentenoic acid
EN300-312635
CHEBI:173387
4-Methylpent-2-en-1-oic acid
Q27237114
NoName_60
(2E)-4-Methyl-2-pentenoic acid
10321-71-8
DTXSID90901012

MDL Number

MFCD00043804

Customs Code

2916190090

FAQ

What are the physical and chemical properties of 4-Methyl-2-pentenoic acid (CAS: 10321-71-8)?

4-Methyl-2-pentenoic acid is a crystalline solid with a molecular weight of approximately 112.13 g/mol. It has a pKa of around 2.4. The compound is slightly soluble in water and readily soluble in organic solvents such as ethanol and acetone. It is reactive towards bases and can undergo esterification and dehydration reactions.

How is 4-Methyl-2-pentenoic acid (CAS: 10321-71-8) typically synthesized?

4-Methyl-2-pentenoic acid is synthesized from 2-methyl-2-pentene via a hydrohalogenation followed by hydrolysis. Commonly, this involves treating the alkene with a mixture of concentrated sulfuric acid and water. The method yields a mixture of isomers, requiring subsequent separation and purification steps.

What industries use 4-Methyl-2-pentenoic acid (CAS: 10321-71-8)?

4-Methyl-2-pentenoic acid is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry for the development of new copolymers and in the sensor industry for the fabrication of gas sensors. Other applications include its use in analytical chemistry and as a reagent in organic synthesis.

What precautions should be taken when handling 4-Methyl-2-pentenoic acid (CAS: 10321-71-8)?

When handling 4-Methyl-2-pentenoic acid, wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Store the compound in a cool, dry place away from direct sunlight and incompatible materials. Use a fume hood during operations to minimize exposure. In case of spill, neutralize the acid with a base and dispose of waste according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.