5-Methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione

Basic Information

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CAS Number

3425-89-6

Molecular Formula

C9H10O3

Molecular Weight

166.18 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

Melting Point

64.0 to 67.0 deg-C

Boiling Point

303 ℃ at 760 mmHg

Density

1.221

Flash Point

>100°C

Refractive Index

1.507

SMILES

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CC1=CCC2C(C1)C(=O)OC2=O

InChI

InChI=1S/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2,6-7H,3-4H2,1H3

InChIKey

OEMSKMUAMXLNKL-UHFFFAOYSA-N

LogP

1.0423

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

278

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

Synonyms & References

English

AC-19636
cis-4-Methyl-1,2-3,6-tetrahydrophthalic Anhydride
T72335
NSC-52669
NSC52669
EC 222-323-8
4-Methyl-1,3,6-tetrahydrophthalic anhydride
4-Cyclohexene-1, 4-methyl-
1, 3a,4,7,7a-tetrahydro-5-methyl-
4-Methyl-cis-4-cyclohexene-1,2-decarboxylic Anhydride
4-Methyl-delta-4-tetrahydrophthalic anhydride
3425-89-6
5-Methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
J-019527
1,3-Isobenzofurandione, tetrahydro-5-methyl-, trans-
3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione
cis-4-Methyl-4-cyclohexene-1,2-dicarboxylic Anhydride
4-Cyclohexene-1,2-dicarboxylic anhydride, 4-methyl-
AKOS002262973
4-methyl-4-cyclohexene-1,2dicarboxylic anhydride
4-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride
M1192
(E)-4-Methyl-1,2,3,4-tetrahydrophthalic anhydride
SY036890
EINECS 222-323-8
FT-0623924
4-Methyltetrahydrophthalic anhydride, 4-MTHPA
4-Methyl-DELTA4-tetrahydrophthalic Anhydride
NS00006717
Isomethyltetrahydrophthalic anhydride
W-107163

MDL Number

MFCD00023106

Customs Code

2932999099

FAQ

What is 5-Methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione (CAS: 3425-89-6)?

5-Methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione, also known as 5-MA, is a chemical compound with the CAS number 3425-89-6. It features a bicyclic structure with a furan ring fused to an isobenzofuran ring, and includes a methyl substituent. This compound is used in various applications, including pharmaceuticals, research, and as an intermediate in organic synthesis. Its properties include a yellow to orange solid with a distinctive odor.

What are the main uses of 5-Methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione (CAS: 3425-89-6)?

5-Methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione is primarily used as an intermediate in the synthesis of pharmaceuticals and other organic compounds. It is also utilized in research for studying chemical reactions and properties of related compounds. Additionally, it may be used in the formulation of certain dyes and pigments.

Is 5-Methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione (CAS: 3425-89-6) safe?

5-Methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione is generally considered safe for laboratory use when proper precautions are taken. However, it should be handled with care due to its potential skin and eye irritation. Protective equipment such as gloves and safety goggles should be worn, and it should be stored in a well-ventilated area away from direct sunlight and sources of ignition. Accidental ingestion or inhalation should be avoided, and exposure should be minimized.

How should 5-Methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione (CAS: 3425-89-6) be stored?

5-Methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione should be stored in a cool, dry place away from direct sunlight and sources of ignition. It should be kept in a tightly sealed container to prevent moisture absorption. The storage area should be well-ventilated, and the compound should be protected from extremes of temperature and humidity. It is important to label the container clearly with the proper hazards and safety information, and to follow all local regulations for chemical storage and disposal.