Cas no 23373-12-8 (3,3,5-trimethylhexanoic acid)

3,3,5-Trimethylhexanoic acid is a branched-chain carboxylic acid with the molecular formula C9H18O2. Its structure features a tertiary carbon adjacent to the carboxyl group, which influences its reactivity and physical properties. This compound is valued for its role as an intermediate in organic synthesis, particularly in the production of specialty chemicals, pharmaceuticals, and agrochemicals. Its sterically hindered structure may enhance stability in certain applications. The acid's moderate lipophilicity makes it suitable for formulations requiring controlled solubility. Typical purity grades meet industry standards for synthetic processes, ensuring consistent performance in reactions such as esterifications or amide formations.
3,3,5-trimethylhexanoic acid structure
3,3,5-trimethylhexanoic acid structure
Product Name:3,3,5-trimethylhexanoic acid
CAS No:23373-12-8
MF:C9H18O2
MW:158.238023281097
CID:1413945
PubChem ID:20163797
Update Time:2025-10-11

3,3,5-trimethylhexanoic acid Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid, 3,3,5-trimethyl-
    • 3,3,5-trimethylhexanoic acid
    • EN300-1866669
    • BWMXRNGZUDOSJR-UHFFFAOYSA-N
    • DTXSID60603192
    • AKOS017530989
    • SCHEMBL1067575
    • 23373-12-8
    • Inchi: 1S/C9H18O2/c1-7(2)5-9(3,4)6-8(10)11/h7H,5-6H2,1-4H3,(H,10,11)
    • InChI Key: BWMXRNGZUDOSJR-UHFFFAOYSA-N
    • SMILES: OC(CC(C)(C)CC(C)C)=O

Computed Properties

  • Exact Mass: 158.13074
  • Monoisotopic Mass: 158.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 137
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

3,3,5-trimethylhexanoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1866669-0.05g
3,3,5-trimethylhexanoic acid
23373-12-8
0.05g
$587.0 2023-09-18
Enamine
EN300-1866669-0.1g
3,3,5-trimethylhexanoic acid
23373-12-8
0.1g
$615.0 2023-09-18
Enamine
EN300-1866669-0.25g
3,3,5-trimethylhexanoic acid
23373-12-8
0.25g
$642.0 2023-09-18
Enamine
EN300-1866669-0.5g
3,3,5-trimethylhexanoic acid
23373-12-8
0.5g
$671.0 2023-09-18
Enamine
EN300-1866669-1.0g
3,3,5-trimethylhexanoic acid
23373-12-8
1g
$1299.0 2023-05-25
Enamine
EN300-1866669-2.5g
3,3,5-trimethylhexanoic acid
23373-12-8
2.5g
$1370.0 2023-09-18
Enamine
EN300-1866669-5.0g
3,3,5-trimethylhexanoic acid
23373-12-8
5g
$3770.0 2023-05-25
Enamine
EN300-1866669-10.0g
3,3,5-trimethylhexanoic acid
23373-12-8
10g
$5590.0 2023-05-25
Enamine
EN300-1866669-1g
3,3,5-trimethylhexanoic acid
23373-12-8
1g
$699.0 2023-09-18
Enamine
EN300-1866669-5g
3,3,5-trimethylhexanoic acid
23373-12-8
5g
$2028.0 2023-09-18

Additional information on 3,3,5-trimethylhexanoic acid

3,3,5-Trimethylhexanoic Acid (CAS No. 23373-12-8): A Comprehensive Guide to Its Properties and Applications

3,3,5-Trimethylhexanoic acid (CAS No. 23373-12-8) is a branched-chain fatty acid with a unique molecular structure that makes it valuable in various industrial and scientific applications. This compound, also known as TMHA, is characterized by its carboxylic acid functional group and a trimethyl-substituted hexane backbone. Its chemical formula is C9H18O2, and it is often utilized in the synthesis of lubricants, plasticizers, and flavoring agents. The growing interest in sustainable chemicals and bio-based alternatives has further highlighted the relevance of 3,3,5-trimethylhexanoic acid in modern research.

The physical and chemical properties of 3,3,5-trimethylhexanoic acid make it a versatile compound. It typically appears as a clear, colorless liquid with a mild odor, and its boiling point ranges between 220-230°C. The branched-chain structure of this acid contributes to its low volatility and high thermal stability, which are critical for applications in high-temperature environments. Researchers and manufacturers often search for "3,3,5-trimethylhexanoic acid solubility" or "TMHA uses in cosmetics", reflecting its broad utility in formulations requiring emollients or stabilizers.

One of the most discussed topics in the chemical industry is the shift toward green chemistry and eco-friendly materials. 3,3,5-Trimethylhexanoic acid aligns with this trend due to its potential as a bio-derived intermediate. Recent studies explore its role in producing biodegradable polymers and renewable surfactants, addressing the demand for sustainable alternatives to petroleum-based chemicals. Keywords like "TMHA in green chemistry" and "CAS 23373-12-8 environmental impact" are increasingly popular in academic and industrial searches.

In the pharmaceutical and cosmetic industries, 3,3,5-trimethylhexanoic acid is valued for its mild irritancy profile and compatibility with skin. It is often incorporated into skincare formulations as an emollient or pH adjuster. Consumers and formulators frequently inquire about "3,3,5-trimethylhexanoic acid safety data" or "TMHA in personal care products", underscoring its importance in hypoallergenic and sensitive-skin-friendly applications. Its low toxicity and biodegradability further enhance its appeal in these sectors.

The synthetic pathways for producing 3,3,5-trimethylhexanoic acid are another area of interest. Common methods include the oxidation of 3,3,5-trimethylhexanol or the hydrolysis of corresponding esters. Optimizing these processes for higher yields and lower energy consumption is a focus for researchers, as evidenced by searches for "TMHA synthesis methods" and "CAS 23373-12-8 production scale-up". Advances in catalytic technologies and enzymatic synthesis could further improve the cost-effectiveness and sustainability of this compound.

In conclusion, 3,3,5-trimethylhexanoic acid (CAS No. 23373-12-8) is a multifaceted chemical with significant applications across industrial, pharmaceutical, and cosmetic fields. Its unique properties, combined with the growing emphasis on sustainability and green chemistry, ensure its continued relevance in scientific and commercial contexts. As research progresses, this compound is likely to play an even greater role in innovative material design and eco-conscious formulations.

Recommended suppliers
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.