3a-Methylhexahydro-2-benzofuran-1,3-dione

Basic Information

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CAS Number

25550-51-0

Molecular Formula

C9H12O3

Molecular Weight

168.19 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 Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

300°Cat760mmHg

Flash Point

140°C

Refractive Index

1.52

SMILES

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O=C(O1)C2(C)C(CCCC2)C1=O

InChI

InChI=1S/C9H12O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h6H,2-5H2,1H3

InChIKey

VYKXQOYUCMREIS-UHFFFAOYSA-N

LogP

1.2663

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

246

Synonyms & References

English

methylhexahydrophthalic anhydride
methyl hexahydrophthalic anhydride (MHHPA)
hexahydromethylphthalic anhydride
methyl-1,2-cyclohexanedicarboxylic anhydride mixture of isomers
1,3-Isobenzofurandione, hexahydromethyl-
METHYLAEXAHYDROPHTHALIC ANHYDRIDE(MIXTURE OF 3-AND 4-)
1. Methyl Hexahydrophthalic Anhydride (MHHPA)
3-Isobenzofurandione, hexahydromethyl-1
hexahydromethyl-3-isobenzofurandione
Methylcyclohexane-1,2-dicarboxylic anhydride
1-Methylhexahydrophthalic Anhydride
4-Methyl-1,2-cyclohexanedicarboxylic anhydride
Methylhexahydrophthalic anhydride（MHHPA）
1,3-Isobenzofurandione,hexahydromethyl
Methylhexahydrophtha
meHHPA
methylexahydrophthalicanhydrlic。
methylcyclohexane-1，2-dicarboxylicanhydride；meHHPA；methylexahydrophthalicanhydrlic。
3a-Methylhexahydroisobenzofuran-1,3-dione
MHHPA
Methyl hexahydrophthalic anhydride
hexahydromethyl-1,3-isobenzofurandione
3a-methylhexahydro-2-benzofuran-1,3-dione
methyl-1,2-cyclohexanedicarboxylic anhydride
1,3-Isobenzofurandione, hexahydro-3a-methyl-
Methylhexahydrophthalicanhydride
Hexahydro-1-methylphthalic anhydride
Methylhexahydroisobenzofuran-1,

MDL Number

MFCD00005927

Customs Code

2917209090

FAQ

What is 3a-Methylhexahydro-2-benzofuran-1,3-dione (CAS: 25550-51-0)?

3a-Methylhexahydro-2-benzofuran-1,3-dione (CAS: 25550-51-0) is a cyclic ketone compound with the chemical formula C9H10O4. It features a benzofuran core with two carbonyl groups and a methyl substituent, making it a versatile intermediate in organic synthesis. The compound is typically a white crystalline solid with moderate solubility in organic solvents and is known for its stability under controlled conditions.

What are the main uses of 3a-Methylhexahydro-2-benzofuran-1,3-dione (CAS: 25550-51-0)?

3a-Methylhexahydro-2-benzofuran-1,3-dione (CAS: 25550-51-0) is primarily used in pharmaceutical research as a building block for drug development, particularly in anti-inflammatory and anticonvulsant compounds. It also finds applications in the food industry as a flavoring agent and in industrial processes for polymer synthesis. Its unique structure makes it valuable in chemical research for creating derivatives with tailored properties.

Is 3a-Methylhexahydro-2-benzofuran-1,3-dione (CAS: 25550-51-0) safe?

3a-Methylhexahydro-2-benzofuran-1,3-dione (CAS: 25550-51-0) is generally considered safe when handled properly, but it may cause skin or eye irritation. Safety data sheets recommend using protective gloves, goggles, and ensuring adequate ventilation during handling. It is not classified as highly toxic, but standard chemical safety protocols should be followed to minimize exposure risks.

How should 3a-Methylhexahydro-2-benzofuran-1,3-dione (CAS: 25550-51-0) be stored?

3a-Methylhexahydro-2-benzofuran-1,3-dione (CAS: 25550-51-0) should be stored in a cool, dry place away from light and moisture. Keep in sealed, airtight containers to prevent degradation. Avoid exposure to air and heat sources, and store in a well-ventilated area. Proper storage ensures stability and prolongs shelf life for industrial and research applications.