(3aR,7aS)-5-Methylhexahydro-2-benzofuran-1,3-dione

Basic Information

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CAS Number

19438-60-9

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

Melting Point

-29 ºC

Boiling Point

120 ºC (1 mmHg)

Refractive Index

n20/D 1.477(lit.)

SMILES

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CC1CCC2C(C1)C(=O)OC2=O

InChI

InChI=1S/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3/t5?,6-,7+/m0/s1

InChIKey

FKBMTBAXDISZGN-BOJSHJERSA-N

LogP

1.1221999999999999

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

234

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

Sensitiveness

Moisture Sensitive

Synonyms & References

English

A813731
19438-60-9
NSC-128883
NSC128883
M0567
1,3-ISOBENZOFURANDIONE,HEXAHYDROMETHYL-
4-methyl-1,2-cyclohexanedicarboxylic acid anhydride
4-Methyl-1,2-cyclohexanedicarboxylic anhydride
MFCD00005927
5-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
Methylhexahydrophthalic anhydride(MHHPA)
PD164275
1, hexahydro-5-methyl-
E70003
AC-9645
1,3-Isobenzofurandione, hexahydro-5-methyl-
5-Methylhexahydroisobenzofuran-1,3-dione
4- methylhexahydrophthalic anhydride
3-AMINO-2,3-DEOXY-D-ADENOSINE
AC-9644
4-methylhexahydrophthalic anhydride
4- Methylhexahydrophthalic anhydride(4-MHHPA);5-Methylhexahydroisobenzofuran-1,3-dione
5-Methyl-hexahydro-isobenzofuran-1,3-dione
5-Methyl hexahydro-1,3-isobenzofurandione
W-107701
Hexahydro-4-methylphthalic anhydride
AKOS015917321
5-methyl-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione
H11995
FKBMTBAXDISZGN-UHFFFAOYSA-N
DTXSID8044333

MDL Number

MFCD00005927

Customs Code

2932999099

FAQ

What is (3aR,7aS)-5-Methylhexahydro-2-benzofuran-1,3-dione (CAS: 19438-60-9)?

The compound (3aR,7aS)-5-Methylhexahydro-2-benzofuran-1,3-dione, with CAS number 19438-60-9, is a cyclic ketone containing a benzofuran ring. It has the chemical formula C9H12O4 and is known for its characteristic structure that includes two carbonyl groups and a methyl substituent. This compound is often used in organic synthesis and research due to its versatile reactivity and structural features.

What are the main uses of (3aR,7aS)-5-Methylhexahydro-2-benzofuran-1,3-dione (CAS: 19438-60-9)?

The compound (3aR,7aS)-5-Methylhexahydro-2-benzofuran-1,3-dione, CAS 19438-60-9, is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of various organic compounds and may be used in industrial processes or as a reference material in chemical studies. Its unique structure makes it valuable in the development of new materials and fine chemicals.

Is (3aR,7aS)-5-Methylhexahydro-2-benzofuran-1,3-dione (CAS: 19438-60-9) safe?

The compound (3aR,7aS)-5-Methylhexahydro-2-benzofuran-1,3-dione, CAS 19438-60-9, is generally considered safe when handled properly. However, as with many organic chemicals, it should be used with appropriate safety measures, such as wearing protective gloves, goggles, and ensuring good ventilation. Safety data sheets (SDS) should be consulted for detailed handling and exposure guidelines.

How should (3aR,7aS)-5-Methylhexahydro-2-benzofuran-1,3-dione (CAS: 19438-60-9) be stored?

To ensure stability and safety, (3aR,7aS)-5-Methylhexahydro-2-benzofuran-1,3-dione (CAS 19438-60-9) should be stored in a cool, dry place away from light. It is typically kept in a sealed container under inert conditions to prevent degradation. Proper storage helps maintain its chemical integrity and prolongs shelf life.