Dimedone | CAS No. 126-81-8

Dimedone

Basic Information

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CAS Number

126-81-8

Molecular Formula

C8H12O2

Molecular Weight

140.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

146-148 °C

Boiling Point

233.7°C at 760 mmHg

Water Solubility

0.416 g/100 mL (25 ºC)

Solubility

4.01g/l

Refractive Index

1.4787 (estimate)

SMILES

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CC1(CC(=O)CC(=O)C1)C

InChI

InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3

InChIKey

BADXJIPKFRBFOT-UHFFFAOYSA-N

LogP

1.3347

pKa

4.8(at 25℃)

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

162

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, but may be light sensitive. Incompatible with strong oxidizing agents.

Sensitiveness

Sensitive to light and heat

Synonyms & References

English

SCHEMBL123127
DTXSID8021987
Z104474686
1, 5,5-dimethyl-
NS00008870
Cyclomethone
EN300-19675
5,5-dimethyl-1,3cyclohexanedione
Dimedon
NSC242994
5,5-Dimethyl-1,3-cyclohexanedione, for HPLC derivatization, for the determination of aldehyde formaldehyde, >=99.0%
5,5-Dimethyldihydroresorcinol
Dimethyldihydroresorcinol
NSC-17544
FT-0625018
F0001-0386
SB15818
D0701
5,5-Dimethyl-1,3-cyclohexanedione, 95%
NSC14984
A805613
Q418261
5,3-dione
UNII-B2B5DSX2FC
1,1-Dimethyl-3,5-cyclohexanedione
1,3-Cyclohexanedione, 5,5-dimethyl-
5,5-Dimethyl-1,3-cyclohexadione
5,5-dimethyl-1,3-cyclohexandion
Methone
5,5'-dimethylcyclohexane-1,3-dione
2,2 DIMETHYL,1,6 CYCLOHEXA DIONE; DIMEDONE

MDL Number

MFCD00001588

Customs Code

29142900

FAQ

What is Dimedone (CAS: 126-81-8)?

Dimedone, with the CAS number 126-81-8, is a cyclic ketone compound commonly used in organic chemistry. Its chemical formula is C6H10O2, and it is known for its stability and reactivity in various chemical reactions. Dimedone is a white crystalline solid with a characteristic sweet odor and is soluble in organic solvents.

What are the main uses of Dimedone (CAS: 126-81-8)?

Dimedone is widely used in pharmaceuticals as a building block for drug synthesis. It also finds applications in the fragrance industry due to its pleasant aroma. Additionally, it serves as a valuable reagent in research and industrial settings for the preparation of other organic compounds and polymers.

Is Dimedone (CAS: 126-81-8) safe?

Dimedone is generally considered safe when handled properly, but it should be treated with caution. It has low toxicity, though prolonged exposure may cause irritation. Protective measures such as gloves and a well-ventilated workspace are recommended. Safety standards suggest following standard chemical handling protocols to minimize risk.

How should Dimedone (CAS: 126-81-8) be stored?

Dimedone should be stored in a cool, dry, and dark place to maintain its stability. It is best kept in a sealed container away from moisture and light. Storage conditions should be below 25°C and in a controlled humidity environment to prevent degradation and ensure long-term usability.