2,2-Dimethylhexanoic acid

Basic Information

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CAS Number

813-72-9

Molecular Formula

C8H16O2

Molecular Weight

144.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

-21.25°C (estimate)

Boiling Point

122°C/18mmHg

Density

0,913 g/cm3

Flash Point

216-220°C

Refractive Index

1.4270

SMILES

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CCCCC(C)(C)C(O)=O

InChI

InChI=1S/C8H16O2/c1-4-5-6-8(2,3)7(9)10/h4-6H2,1-3H3,(H,9,10)

InChIKey

YTTWDTVYXAEAJA-UHFFFAOYSA-N

LogP

2.2874

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

116

Safety Information

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Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

Hexanoic acid,2,2-dimethyl-
2,2-Dimethylhexanoic Acid
2,2-dimethyl-hexanoic acid
YTTWDTVYXAEAJA-UHFFFAOYSA-N
2,2-DIMETHYLHEXANOICACID
dimethylhexanoic acid
LMFA01020150
dimethyl-hexanoic acid
2,2-Dimethyl hexanoic acid
2,2-Dimethylhexanoic acid #
Hexanoic acid, 2,2-dimethyl-
YTTWDTVYXAEAJA-UHFFFAOYSA-
D2809
A840112
InChI

MDL Number

MFCD00965097

Customs Code

2915900090

FAQ

What regulatory guidelines apply to 2,2-Dimethylhexanoic acid (CAS: 813-72-9)?

2,2-Dimethylhexanoic acid (CAS: 813-72-9) is subject to various regulatory guidelines. In the European Union, it falls under the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation. For hazardous classification, it should comply with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). Additionally, the U.S. Environmental Protection Agency (EPA) and the U.S. Food and Drug Administration (FDA) have specific requirements for the handling and reporting of this compound. It is important to consult the most recent regulatory updates for specific compliance requirements.

Are there alternatives to 2,2-Dimethylhexanoic acid (CAS: 813-72-9) in synthesis?

Yes, there are alternatives to 2,2-Dimethylhexanoic acid (CAS: 813-72-9) in synthesis. Common alternatives include other carboxylic acids such as pentanoic acid or capric acid, which can serve similar functional groups in organic reactions. Substitutes can also include cyclic compounds like caprolactam, which can be used in similar applications. It is advisable to evaluate the specific requirements of the synthesis to determine the best alternative.

What is the market or research trend for 2,2-Dimethylhexanoic acid (CAS: 813-72-9)?

The market for 2,2-Dimethylhexanoic acid (CAS: 813-72-9) is stable but growing, particularly in the pharmaceutical and cosmetics industries. Research trends indicate increasing interest in its use as a precursor in the synthesis of bioactive compounds and as a component in personal care products. Emerging trends include its potential applications in sustainable chemistry and green chemistry initiatives. Market prices may vary based on demand and availability, with research focusing on developing more efficient and environmentally friendly production methods.

How should waste containing 2,2-Dimethylhexanoic acid (CAS: 813-72-9) be handled?

Waste containing 2,2-Dimethylhexanoic acid (CAS: 813-72-9) should be handled according to local and international regulations. Collection of waste should be done in appropriate containers labeled as hazardous. Incineration is a common method of disposal, but it must be conducted in an environmentally controlled incinerator to minimize emissions. Professional waste disposal services are recommended for larger quantities. Environmental protection precautions include ensuring no release into aquatic systems and proper documentation of waste management practices to comply with regulatory requirements.