2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one

Basic Information

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CAS Number

4883-60-7

Molecular Formula

C9H14O2

Molecular Weight

154.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

90.0 to 94.0 deg-C

Boiling Point

100°C/13mmHg

Flash Point

108.5±19.9 °C

SMILES

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

InChI

InChI=1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h11H,4-5H2,1-3H3

InChIKey

DWGZTTFGUFHAJX-UHFFFAOYSA-N

LogP

2.2075000000000005

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

224

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

Synonyms & References

English

2-HYDROXY-3,5,5-TRIMETHYL-2-CYCLOHEXENONE
2-Cyclohexen-1-one, 2-hydroxy-3,5,5-trimethyl-
2-HYDROXY-3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE
2-Hydroxyisophorone
Fema no. 3459
3,5,5-Trimethyl-1,2-cyclohexanedione 2-Hydroxyisophorone
2-Hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
3,5,5-Trimethyl-1,2-cyclohexanedione
3,5,5-TRIMETHYLCYCLOHEXANE-1,2-DIONE
5RIP7E0O7J
Enol-3,5,5-Trimethyl-1,2-cyclohexanedione
PubChem15735
2-Hydroxy-3,5,5-trimethyl-cyclohex-2-enone
KSC237C8H
DWGZTTFGUFHAJX-UHFFFAOYSA-N

MDL Number

MFCD02181023

FAQ

What regulatory guidelines apply to [2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one] (CAS: 4883-60-7)?

2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one (CAS: 4883-60-7) falls under various regulatory guidelines. It is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes classification for health hazards and environmental hazards. Additionally, it is subject to the European Union’s Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation, which requires manufacturers and importers to register chemicals with the European Chemicals Agency. In the United States, it must comply with the Toxic Substances Control Act (TSCA) and the Federal Insecticide, Fungicide, and Rodenticide Act (FIFRA) for any use as a pesticide. EPA and FDA also have specific regulations for its use in consumer products and pharmaceuticals.

Are there alternatives to 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one in synthesis?

In synthesis, there are several alternatives to 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one (CAS: 4883-60-7). Common alternatives include isomeric compounds such as 3-Methyl-2-cyclohexene-1,2-diol and 2,3,5-Trimethylcyclohex-1-ene-1,2-diol. Other substituent reagents like 3,5,5-Trimethylcyclohexanone and 2-Hydroxy-3,5-dimethylcyclohex-1-one can also be used depending on the desired molecular structure. These alternatives offer similar chemical functionalities and can be chosen based on their reactivity and availability.

What is the market or research trend for 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one?

The market and research trends for 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one (CAS: 4883-60-7) indicate increasing interest in its applications in pharmaceuticals and agrochemicals. Recent research has explored its use as a precursor in the synthesis of bioactive compounds and as a stabilizer in sunscreen formulations. Industry demand is driven by its chemical stability and ability to act as a mild reducing agent. Market trends suggest a growing focus on sustainable and eco-friendly chemical production, which may influence the development of new synthesis methods and applications.

How should waste containing 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one be handled?

Waste containing 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one (CAS: 4883-60-7) should be handled according to environmental protection guidelines. Waste liquids should be collected in appropriate containers and disposed of in accordance with local hazardous waste regulations. Proper incineration or professional waste disposal services are recommended. Environmental precautions include minimizing exposure and ensuring proper ventilation during handling. Users should consult the Material Safety Data Sheet (MSDS) for specific disposal instructions and follow best practices to prevent contamination and ensure safe disposal. In case of accidental spills, immediate cleanup and decontamination procedures should be followed to protect the environment and human health.