1,2-Cyclohexanedione

Basic Information

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CAS Number

765-87-7

Molecular Formula

C6H8O2

Molecular Weight

112.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Physical State

Powder

Melting Point

34-38 °C

Boiling Point

194°C

Density

1,118 g/cm3

Refractive Index

1.518-1.52

SMILES

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C1CCC(=O)C(=O)C1

InChI

InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2

InChIKey

OILAIQUEIWYQPH-UHFFFAOYSA-N

LogP

0.6986

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

111

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

AI3-25042
EINECS 212-155-3
Q27104480
NSC627435
SY018311
HY-W007347
Cyclohexanedione
A838753
765-87-7
1,2-Dioxocyclohexane
1,2-CYCLOHEXANEDIONE-
NSC-32950
Cyclohexan-1,2-dione
NS00004801
cyclohexane-1,2-quinone
UNII-75C1OVW0FJ
Cyclohexane-1,2-dione
A9705
AM20070526
CHEMBL189727
1,2-cyclohexandione
FT-0602067
DTXSID6061101
NSC 32950
1,2-Cyclohexadione
NSC32950
STR04269
CS-W007347
cyclohexane-dione
1,2-CYCLOHEXANEDIONE,KETONE FORM
EN300-18736

MDL Number

MFCD00001648

Customs Code

2914299000

FAQ

What is 1,2-Cyclohexanedione (CAS: 765-87-7)?

1,2-Cyclohexanedione is a cyclic ketone with the chemical formula C6H10O2. It is a colorless liquid with a sweet, ketonic odor. This compound is known for its reactivity and is commonly used in organic synthesis. It has a boiling point of approximately 160°C and is soluble in organic solvents.

What are the main uses of 1,2-Cyclohexanedione (CAS: 765-87-7)?

1,2-Cyclohexanedione is primarily used in the synthesis of various pharmaceuticals, organic chemicals, and materials. It serves as an intermediate in the production of dyes, pesticides, and other industrial products. In research settings, it is used for the development of new compounds and as a reagent in chemical reactions.

Is 1,2-Cyclohexanedione (CAS: 765-87-7) safe?

1,2-Cyclohexanedione is considered toxic and requires careful handling. It can irritate the skin, eyes, and respiratory system. Safety measures include wearing protective gear, ensuring proper ventilation, and following standard chemical safety protocols. It is classified as a potential health hazard according to OSHA and other regulatory guidelines.

How should 1,2-Cyclohexanedione (CAS: 765-87-7) be stored?

1,2-Cyclohexanedione should be stored in a cool, dark place away from moisture and incompatible materials. It is best kept in a sealed container at temperatures below 25°C. Avoid exposure to light and ensure proper ventilation to maintain stability and safety.