1,4-Cyclohexanedione

Basic Information

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CAS Number

637-88-7

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

Melting Point

77-78.5 °C

Boiling Point

132°C/20mmHg

Density

1.0861

Solubility

Soluble in methanol and ethanol.

Refractive Index

1.4570 (estimate)

SMILES

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C1CC(=O)CCC1=O

InChI

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

InChIKey

DCZFGQYXRKMVFG-UHFFFAOYSA-N

LogP

0.6986

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

98.5

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

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

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Synonyms & References

English

NSC-7192
1,4-Cyclohexandione
FT-0606825
cyclohexane-1,4-quinone
1,4 cyclohexane dione
AI3-22410
FT-0665352
DTXSID6060929
C08063
CHEBI:28286
PS-5321
InChI=1/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H
1,4-Cyclohexanedione, 98%
bmse000513
NSC 7192
NS00035568
EINECS 211-306-0
637-88-7
SY002914
CS-W011270
F11265
Cyclohexan-1,4-dione
AKOS005146041
1,4-Cyclohexanedione, Vetec(TM) reagent grade, 98%
BJS27Z99AM
BP-30065
MFCD00001606
3-METHYLURICACID
Q2806566
1,4-Dioxocyclohexane
1,4-cyclohexane-dione

MDL Number

MFCD00001606

Customs Code

29142900

FAQ

What is 1,4-Cyclohexanedione (CAS: 637-88-7)?

1,4-Cyclohexanedione, with the CAS number 637-88-7, is a cyclic ketone compound consisting of a six-membered ring with two carbonyl groups at positions 1 and 4. It is a colorless liquid with a slightly aromatic odor and is known for its reactivity in organic chemistry. The chemical formula for 1,4-Cyclohexanedione is C6H10O2, and it is commonly used as an intermediate in the synthesis of various pharmaceutical and industrial compounds.

What are the main uses of 1,4-Cyclohexanedione (CAS: 637-88-7)?

1,4-Cyclohexanedione is widely used in the pharmaceutical industry as a building block for synthesizing drugs and other bioactive molecules. It also finds applications in the production of dyes, perfumes, and organic chemicals. In research, it serves as a versatile intermediate for creating derivatives with specific functional groups. Its use in food additives is limited, but it may appear in certain chemical processes related to flavor and fragrance development.

Is 1,4-Cyclohexanedione (CAS: 637-88-7) safe?

1,4-Cyclohexanone (note: CAS 637-88-7 is actually for 1,4-Cyclohexanedione, not 1,4-Cyclohexanone) is considered hazardous due to its potential to cause skin and eye irritation. It is also toxic if inhaled or ingested. Proper safety measures, such as using personal protective equipment (PPE) and working in a well-ventilated area, are essential when handling this compound. Safety standards for 1,4-Cyclohexanedione are outlined by OSHA and other regulatory agencies to ensure safe handling and exposure limits.

How should 1,4-Cyclohexanedione (CAS: 637-88-7) be stored?

1,4-Cyclohexanedione should be stored in a cool, dry, and well-ventilated place, away from light and incompatible substances. It is typically kept in sealed glass or stainless steel containers to prevent contamination and maintain stability. The recommended storage temperature is between 0°C and 25°C, and humidity levels should be controlled to avoid degradation. Proper labeling and storage in accordance with safety guidelines are important for handling this compound effectively.