CAS 77-68-9

3-Hydroxy-2,2,4-trimethylpentyl isobutyrate

Description:

3-Hydroxy-2,2,4-trimethylpentyl isobutyrate, with the CAS number 77-68-9, is an ester compound commonly used in various applications, including as a flavoring agent and in cosmetic formulations. This substance is characterized by its molecular structure, which includes a branched alkyl chain, contributing to its unique properties. It is typically a colorless to pale yellow liquid with a pleasant odor, making it suitable for use in fragrances and flavorings. The compound is known for its moderate volatility and solubility in organic solvents, while being less soluble in water. Its stability under normal conditions allows it to be utilized in various formulations without significant degradation. Additionally, 3-Hydroxy-2,2,4-trimethylpentyl isobutyrate exhibits low toxicity, which is an important consideration for its use in consumer products. Overall, its chemical characteristics make it a versatile ingredient in both food and cosmetic industries, although safety assessments and regulatory compliance are essential for its application.

Formula: C₁₂H₂₄O₃

InChI: InChI=1/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3/t10-/m1/s1

InChI key: InChIKey=DAFHKNAQFPVRKR-UHFFFAOYSA-N

SMILES: C(C(C(C)C)O)(COC(C(C)C)=O)(C)C

Synonyms:

• (3R)-3-hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate
• (3S)-3-hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate
• 1,3-Pentanediol, 2,2,4-trimethyl-, 1-isobutyrate
• 1-Isobutyrate
• 2,2,4-Trimethyl-1,3-Pentanediol 1-Monoisobutyrate
• 2,2,4-Trimethyl-1,3-Pentanediol Mono(2-Methylpropanoate)
• 2,2,4-Trimethyl-1,3-Pentanediolmono(2-Methylpropanoate)
• 2,2,4-Trimethyl-1,3-pentanediol 1-isobutyrate
• 2,2,4-Trimethylpentane-1,3-Diol 1-Isobutyrate
• 3-Hydroxy-2,2,4-Trimethylpentyl 2-Methylpropanoate
• 3-Hydroxy-2,2,4-Trimethylpentyl Isobutyrate
• 3-Pentanediol,2,2,4-Trimethyl-Monoisobutyrate
• Alcohol Ester-12
• C-12
• Chissocizercs12
• Cs-12
• Cs12
• Dn-12
• Film forming auxiliary
• Isobutyraldehyde trimer
• Isobutyric Acid 3-Hydroxy-2,2,4-Trimethylpentyl Ester
• Ng 120
• Propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester
• Texanol
• Texaol
• Isobutyric acid 2,2,4-trimethyl-3-hydroxypentyl ester
• Teksanol
• 2-Methylpropanoic acid 3-hydroxy-2,2,4-trimethylpentyl ester
• 2,2,4-Trimethyl-3-hydroxypentyl isobutyrate

2-Methyl-propanoic acid 3-hydroxy-2,2,4-trimethylpentyl ester

CAS: 77-68-9

2-Methyl-propanoic acid 3-hydroxy-2,2,4-trimethylpentyl ester is a viscous liquid that is used as an additive in a variety of products, including plastics and resins. It is also used in metalworking fluids as a lubricant. 2-Methyl-propanoic acid 3-hydroxy-2,2,4-trimethylpentyl ester has been shown to have low toxicity in animal studies. The chemical reactions between 2-methylpropanoic acid 3-hydroxy-2,2,4-trimethylpentyl ester and sodium hydroxide are exothermic and produce heat. This chemical reacts with glycol ethers to produce polycarboxylic acids. These reactions release volatile organic compounds (VOCs) into the atmosphere.

Formula: C₁₂H₂₄O₃

Purity: Min. 95%

Molecular weight: 216.32 g/mol

Ref: 3D-AAA07768

2-Methyl-propanoic Acid 3-Hydroxy-2,2,4-trimethylpentyl Ester-d6

Controlled Product

CAS: 77-68-9

Applications 2-Methyl-propanoic Acid 3-Hydroxy-2,2,4-trimethylpentyl Ester-d6 is labelled 2-Methyl-propanoic acid 3-Hydroxy-2,2,4-trimethylpentyl Ester (M312875) which is a plasticizer. It can also be used to synthesize hard and flexible nanocomposite coatings.
References Dieckmann, D., et al.:J. Vinyl Addit. Technol., 12, 217 (1990); Fogelstroem, L., et al.: ACS Appl. Mater. Interfaces, 2, 1679 (2010)

Formula: C₁₂D₆H₁₈O₃

Color and Shape: Neat

Molecular weight: 222.354

Ref: TR-M312877

2-Methyl-propanoic Acid 3-Hydroxy-2,2,4-trimethylpentyl Ester

Controlled Product

CAS: 77-68-9

Applications 2-Methyl-propanoic acid 3-Hydroxy-2,2,4-trimethylpentyl Ester is a plasticizer. It can also be used to synthesize hard and flexible nanocomposite coatings.
References Dieckmann, D., et al.:J. Vinyl Addit. Technol., 12, 217 (1990); Fogelstroem, L., et al.: ACS Appl. Mater. Interfaces, 2, 1679 (2010)

Formula: C₁₂H₂₄O₃

Color and Shape: Neat

Molecular weight: 216.32

Ref: TR-M312875