5,5-Dimethyl-2,4-hexanedione

Basic Information

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CAS Number

7307-04-2

Molecular Formula

C8H14O2

Molecular Weight

142.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Boiling Point

220.2°C at 760 mmHg

Density

0.912 g/mL at 25 °C

Refractive Index

n20/D 1.460

SMILES

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CC(=O)CC(=O)C(C)(C)C

InChI

InChI=1S/C8H14O2/c1-6(9)5-7(10)8(2,3)4/h5H2,1-4H3

InChIKey

LCLCVVVHIPPHCG-UHFFFAOYSA-N

LogP

1.5807

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

151

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

7307-04-2
A918314
5,5-Dimethyl-hexan-2,4-dione
5,5-Dimethyl-2,4-hexanedione #
EINECS 230-760-0
CS-W018289
NS00037471
pivaloylacetone
MFCD00142767
DTXSID90223342
2,2-DIMETHYLHEXANE-3,5-DIONE
FT-0619786
2,2-Dimethyl-3,5-hexanedione, 97%
AS-47174
2,2-dimethylhexan-3,5-dione
AKOS004115499
5,5-Dimethyl-hexane-2,4-dione
Pivaloylacetone, keto form
5,5-Dimethylhexane-2,4-dione
AI3-19023
5,5-DIMETHYLHEXAN-2,4-DIONE
2,2-DIMETHYL-3,5-HEXANEDIONE
5,5-Dimethyl-2,4-hexanedione
AMY11711
Q63409387
SCHEMBL46501
2,4-Hexanedione, 5,5-dimethyl-
F12458
2,2-Dimethylhexane-3,5-dione
2,2-Dimethyl-3,5-hexanedione

MDL Number

MFCD00142767

FAQ

What regulatory guidelines apply to 5,5-Dimethyl-2,4-hexanedione (CAS: 7307-04-2)?

5,5-Dimethyl-2,4-hexanedione (CAS: 7307-04-2) must comply with various regulatory guidelines including GHS (Globally Harmonized System) for chemical classification and labeling, REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) for European manufacturers and importers, and FDA/EPA regulations for food and environmental safety. It is also subject to local and regional safety data sheet (SDS) and material safety data sheet (MSDS) requirements.

Are there alternatives to 5,5-Dimethyl-2,4-hexanedione in synthesis?

Yes, there are alternatives to 5,5-Dimethyl-2,4-hexanedione in synthesis, such as other ketones like acetone, methyl ethyl ketone, and cyclohexanone. These alternatives can be used depending on the specific reaction conditions and desired properties. Additionally, isomers and analogs can also be considered for different synthesis pathways.

What is the market or research trend for 5,5-Dimethyl-2,4-hexanedione?

The market for 5,5-Dimethyl-2,4-hexanedione (CAS: 7307-04-2) is stable, with increasing demand in industries such as pharmaceuticals and agrochemicals. Research trends focus on its application in polymer synthesis and as a solvent for various organic reactions. Price trends are generally stable, but may fluctuate based on supply and demand dynamics and raw material costs.

How should waste containing 5,5-Dimethyl-2,4-hexanedione be handled?

Waste containing 5,5-Dimethyl-2,4-hexanedione (CAS: 7307-04-2) should be collected in appropriate containers and stored in a well-ventilated area. Proper incineration or professional waste disposal services should be utilized to ensure safe disposal. Environmental protection precautions include minimizing spillage and ensuring all waste is handled according to local regulations and safety guidelines.