3a-Methyl-3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione

Basic Information

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CAS Number

11070-44-3

Molecular Formula

C9H10O3

Molecular Weight

332.35 g/mol

EINECS

234-290-7

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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

120 °C/3 mmHg

Density

1,21 g/cm3

Water Solubility

Soluble in water

Flash Point

157 °C

Refractive Index

1.4970 to 1.5020

Vapor Pressure

0.373Pa at 24.85℃

SMILES

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O=C1OC(C2C(C)CCC=C21)=O.O=C3OC(C4=C3CCCC4C)=O

InChI

InChI=1S/C9H10O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h4H,2-3,5H2,1H3

InChIKey

LOYDTBZMMPQJNI-UHFFFAOYSA-N

LogP

2.2287

Topological Polar Surface Area

86.74000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

290

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

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

H402 Harmful to aquatic life
Hazardous to the aquatic environment, acute hazard

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Sensitiveness

易吸潮

Synonyms & References

English

4-METHYL TETRAHYDROPHTHALIC ANHYDRIDE
3-METHYL-DELTA4-TETRAHYDROPHTHALIC ANHYDRIDE
3-METHYL-4-CYCLOHEXENE-1,2-DICARBOXYLIC ANHYDRIDE
3-METHYL-4-CYCLOHEXEN-1,2-DICARBOXYLIC ANHYDRIDE
AC-METHYL
1,3-Isobenzofurandione, 3a,4
4-methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-quinone
cis,cis-3-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride
Methyltetrahydrophtalic anhydride
METHYLTETRAHYDROPHTHALIC ANHYDRIDE
MTHPA
Methylcyclohexene-1,2-dicarboxylic Anhydride (mixture of isomers)
Methylcyclohexene-1,2-dicarboxylic Anhydride
Methyltetrahydrophthalic anhydride（MTHPA）
Tetrahydromethyl-1,3-isobenzofurandione
3a-methyl-5,6-dihydro-4H-2-benzofuran-1,3-dione
Methyltetrahydrophthalic Anhydride (mixture of isomers)
MTHPA-EG
MTHPA-600
Methyltetrahydrophthalicanhyrid
tetrahydromethylphthalic anhydride
Methyltetrahydroisobenzofurandione
tetrahydromethyl-3-isobenzofurandione
4-Methyl tetrahydro phthalic anhydride
1,3-Isobenzofurandione, tetrahydromethyl-
3a-methyl-5,6-dihydro-4H-isobenzofuran-1,3-dione
Methyltetrahydrophthalic anhydride (MTHPA)
DSSTox_CID_7729
DSSTox_RID_78551
DSSTox_GSID_27729
Tox21_301182

MDL Number

MFCD00014585

EC Number

234-290-7

Customs Code

2917.20.0000

FAQ

What is 3a-Methyl-3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione (CAS: 11070-44-3)?

3a-Methyl-3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione is a chemical compound with the CAS number 11070-44-3. It is a derivative of benzofuran and contains a 3a-methyl group and a 1,3-dione moiety. This compound has a molecular formula of C13H12O3 and is characterized by its unique aromatic and fused ring structure.

What are the main uses of 3a-Methyl-3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione (CAS: 11070-44-3)?

3a-Methyl-3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione is primarily used in the pharmaceutical and research industries. It serves as a precursor for the synthesis of other compounds and has been studied for its potential biological activities, including anti-inflammatory and analgesic properties. However, its specific applications may vary depending on the intended use.

Is 3a-Methyl-3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione (CAS: 11070-44-3) safe?

The safety of 3a-Methyl-3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione depends on the context of use. It is generally considered safe for laboratory use when handled properly. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment (PPE) such as gloves and goggles. Exposure to the compound should be minimized, and it should be stored in a secure location away from heat sources and direct sunlight.

How should 3a-Methyl-3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione (CAS: 11070-44-3) be stored?

3a-Methyl-3a,4,5,6-tetrahydro-2-benzofuran-1,3-dione should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep the compound in a tightly sealed container to prevent degradation. The storage temperature should be maintained between 15°C and 25°C (59°F and 77°F) to ensure stability. Humidity levels should be kept low to avoid moisture-related degradation.