6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione

Basic Information

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CAS Number

67911-21-1

Molecular Formula

C7H8O3

Molecular Weight

140.14 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 Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

53.0 to 57.0 deg-C

Boiling Point

137°C/14mmHg

Density

1.274

Flash Point

113 ºC

Refractive Index

1.499

SMILES

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CC1(C2C1C(=O)OC2=O)C

InChI

InChI=1S/C7H8O3/c1-7(2)3-4(7)6(9)10-5(3)8/h3-4H,1-2H3

InChIKey

QKAHKEDLPBJLFD-UHFFFAOYSA-N

LogP

0.34199999999999997

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

207

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Moisture Sensitive

Synonyms & References

English

6,6-dimethyl-3-oxabicyclo[3.1.0]hex-2,4-dione
3-Oxabicyclo[3.1.0]hexane-2,4-dione, 6,6-dimethyl-
FT-0658766
DTXSID40438803
SCHEMBL3381973
CS-0015906
6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
C2596
3,3-dimethyl-1,2-cyclopropanedicarboxylic acid anhydride
MFCD09751198
Paxlovid intermediate
6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione; Caronic anhydride
(1R,5S)-6,6-Dimethyl-3-oxabicyclo(3.1.0)hexane-2,4-dione
BB 0260142
EN300-82369
NS00007771
67911-21-1
3,3-Dimethyl-1,2-cyclopropane Dicarboxylic Anhydride
Caronic anhydride
3,3-Dimethyl-1,2-cyclopropanedicarboxylic Anhydride
QKAHKEDLPBJLFD-UHFFFAOYSA-N
AM61643
DS-17876
A835932
EC 614-164-1
AKOS005171679
SY014553
6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
Caronicanhydride
KSC626S3R
EBD2585

MDL Number

MFCD09751198

Customs Code

2917209090

FAQ

What is 6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione (CAS: 67911-21-1)?

6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione is an organic compound with the CAS number 67911-21-1. It is a cyclic ketone containing two methyl groups and two ketone functionalities. This compound is known for its stability and reactivity in chemical reactions, making it useful in various synthetic applications. It has a molecular formula of C8H12O3 and exhibits characteristics typical of oxabicyclic compounds.

What are the main uses of 6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione (CAS: 67911-21-1)?

6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione (CAS: 67911-21-1) is primarily used in pharmaceutical research for the synthesis of bioactive compounds. It also finds applications in organic chemistry as a building block for complex molecules. Additionally, it may be used in industrial processes involving oxidation reactions and in the development of new materials due to its unique structural properties.

Is 6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione (CAS: 67911-21-1) safe?

6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione (CAS: 67911-21-1) is generally considered safe when handled properly. However, like many organic compounds, it may cause skin or eye irritation. Safety standards recommend using appropriate personal protective equipment (PPE) such as gloves and goggles. It should be stored away from heat and incompatible materials to ensure safe handling and use.

How should 6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione (CAS: 67911-21-1) be stored?

6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione (CAS: 67911-21-1) should be stored in a cool, dry, and well-ventilated area, away from direct light. It is best kept in a sealed container to prevent moisture absorption. Storage conditions should maintain temperatures below 25°C and avoid exposure to air or reactive substances to ensure stability and prolong shelf life.