4-Methoxybut-2-enoic acid methyl ester

Basic Information

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CAS Number

13168-99-5

Molecular Formula

C6H10O3

Molecular Weight

130.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

SMILES

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COCC=CC(=O)OC

InChI

InChI=1S/C6H10O3/c1-8-5-3-4-6(7)9-2/h3-4H,5H2,1-2H3/b4-3+

InChIKey

JMXSTMJTPSFRNI-ONEGZZNKSA-N

LogP

0.3620000000000001

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

107

Synonyms & References

English

2-Butenoic acid, 4-methoxy-, methyl ester, (E)-
SCHEMBL6585628
(E)-Methyl4-methoxybut-2-enoate
2-butenoic acid, 4-methoxy-, methyl ester, (2E)-
METHYL 4-METHOXY-2-BUTENOATE
Methyl (2E)-4-methoxy-2-butenoate #
methyl 4-methoxycrotonate
Methyl 4-methoxy-trans-crotonate
P17071
CHEMBL3273402
13168-99-5
InChI=1/C6H10O3/c1-8-5-3-4-6(7)9-2/h3-4H,5H2,1-2H3/b4-3
2-Butenoic acid, 4-methoxy-, methyl ester
Methyl (e)-4-methoxy-2-butenoate
Methyl (2E)-4-methoxy-2-butenoate
(E)-Methyl 4-methoxybut-2-enoate
AS-53759
EN300-365532
4-methoxybut-2-enoic acid methyl ester
59424-95-2
DB-187586
AKOS006279502
methyl (E)-4-methoxybut-2-enoate
SCHEMBL6585631
methyl (2E)-4-methoxybut-2-enoate

MDL Number

MFCD03789600

FAQ

What is 4-Methoxybut-2-enoic acid methyl ester (CAS: 13168-99-5)?

4-Methoxybut-2-enoic acid methyl ester (CAS: 13168-99-5) is an organic compound with the molecular formula C8H10O3. It is a colorless or light yellow liquid with a characteristic odor. This ester is used in various applications including chemical intermediates, pharmaceuticals, and research due to its functional groups.

What are the main uses of 4-Methoxybut-2-enoic acid methyl ester (CAS: 13168-99-5)?

4-Methoxybut-2-enoic acid methyl ester (CAS: 13168-99-5) is primarily used as a chemical intermediate in the synthesis of other compounds. It is also employed in the pharmaceutical industry for the production of drugs and in research for its specific functional groups and properties.

Is 4-Methoxybut-2-enoic acid methyl ester (CAS: 13168-99-5) safe?

4-Methoxybut-2-enoic acid methyl ester (CAS: 13168-99-5) is generally considered safe when handled with appropriate precautions. However, it should be stored away from strong oxidizers, heat, and sources of ignition. It is important to follow safety guidelines and use personal protective equipment when working with this compound.

How should 4-Methoxybut-2-enoic acid methyl ester (CAS: 13168-99-5) be stored?

4-Methoxybut-2-enoic acid methyl ester (CAS: 13168-99-5) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in tightly sealed containers to prevent evaporation and contamination. Avoid storing it near strong oxidizers and ensure proper ventilation in the storage area.