Hexanoic acid (CAS 142-62-1)

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PALMERA A9906 (Е). CAS 142-62-1.

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化学概述: Hexanoic Acid
分子式C6H12O2
分子量116.16 g/mol
LogP(亲脂性)1.9
IUPAC名称hexanoic acid
SMILESCCCCCC(=O)O
InChIKeyFUZZWVXGSFPDMH-UHFFFAOYSA-N

同义词: HEXANOIC ACID · Caproic acid · 142-62-1 · n-Caproic acid · n-Hexanoic acid

数据来源: PubChem (NLM/NIH)
最后更新: 2026-09-02

科学研究

[1]PubMed2025
Ikeda T, Takii K, Omichi Y et al.. (2025). "Hexanoic Acid Improves Metabolic Health in Mice Fed High-Fat Diet.". Nutrients. https://doi.org/10.3390/nu17172868
[2]PubMed2025
Seta D, Nagahori K, Katoh Y et al.. (2025). "Hexanoic Acid Intake Enhances Anti-Tumor Immune Responses in Colorectal Cancer by Reducing the Immunosuppressive Function of Tregs.". Molecular nutrition &
[3]PubMed2025
Cao J, Fu J, Lin Y et al.. (2025). "Novel synthesis of 2-amino-6-[(4-hydroxy-1-oxopentyl)amino]hexanoic acid from lysine and γ-valerolactone.". Bioorganic chemistry. https://doi.org/10.1016/j.bioorg.2
[4]PubMed2024
Schäfer KJ, Aras M, Boles E et al.. (2024). "Optimizing hexanoic acid biosynthesis in Saccharomyces cerevisiae for the de novo production of olivetolic acid.". Biotechnology for biofuels and bioproduc
[5]PubMed2024
Ji X, Chen Z, Shen Y et al.. (2024). "Hexanoic acid production and microbial community in anaerobic fermentation: Effects of inorganic carbon addition.". Bioresource technology. https://doi.org/10.101
[6]CrossRef2024
David R. Lide. (2024). "Hexanoic acid". Handbook of Organic Solvents. https://doi.org/10.1201/9781003575191-264
[7]PubMed2023
Pradhan RN, Shrestha B, Lee Y. (2023). "Molecular Basis of Hexanoic Acid Taste in Drosophila melanogaster.". Molecules and cells. https://doi.org/10.14348/molcells.2023.0035
[8]PubMed2022
Drum ZA, Lanno SM, Gregory SM et al.. (2022). "Genomics analysis of hexanoic acid exposure in Drosophila species.". G3 (Bethesda, Md.). https://doi.org/10.1093/g3journal/jkab354
📚 科学参考文献(芝加哥作者-日期格式) 18 refs · 2 baz

MOLECULE 按CAS号参考文献(实时来自13+数据库)

来源: db:pubmed (12) · db:crossref (6)

  1. db:pubmed Ikeda T, Takii K, Omichi Y et al.. (2025). "Hexanoic Acid Improves Metabolic Health in Mice Fed High-Fat Diet.". Nutrients. https://doi.org/10.3390/nu17172868
  2. db:pubmed Seta D, Nagahori K, Katoh Y et al.. (2025). "Hexanoic Acid Intake Enhances Anti-Tumor Immune Responses in Colorectal Cancer by Reducing the Immunosuppressive Function of Tregs.". Molecular nutrition & food research. https://doi.org/10.1002/mnfr.70229
  3. db:pubmed Cao J, Fu J, Lin Y et al.. (2025). "Novel synthesis of 2-amino-6-[(4-hydroxy-1-oxopentyl)amino]hexanoic acid from lysine and γ-valerolactone.". Bioorganic chemistry. https://doi.org/10.1016/j.bioorg.2025.108573
  4. db:crossref David R. Lide. (2024). "Hexanoic acid". Handbook of Organic Solvents. https://doi.org/10.1201/9781003575191-264
  5. db:pubmed Schäfer KJ, Aras M, Boles E et al.. (2024). "Optimizing hexanoic acid biosynthesis in Saccharomyces cerevisiae for the de novo production of olivetolic acid.". Biotechnology for biofuels and bioproducts. https://doi.org/10.1186/s13068-024-02586-2
  6. db:pubmed Ji X, Chen Z, Shen Y et al.. (2024). "Hexanoic acid production and microbial community in anaerobic fermentation: Effects of inorganic carbon addition.". Bioresource technology. https://doi.org/10.1016/j.biortech.2024.130881
  7. db:pubmed Pradhan RN, Shrestha B, Lee Y. (2023). "Molecular Basis of Hexanoic Acid Taste in Drosophila melanogaster.". Molecules and cells. https://doi.org/10.14348/molcells.2023.0035
  8. db:pubmed Drum ZA, Lanno SM, Gregory SM et al.. (2022). "Genomics analysis of hexanoic acid exposure in Drosophila species.". G3 (Bethesda, Md.). https://doi.org/10.1093/g3journal/jkab354
  9. db:pubmed Caccalano MN, Dilarri G, Zamuner CFC et al.. (2021). "Hexanoic acid: a new potential substitute for copper-based agrochemicals against citrus canker.". Journal of applied microbiology. https://doi.org/10.1111/jam.15125
  10. db:pubmed Api AM, Belsito D, Biserta S et al.. (2020). "RIFM fragrance ingredient safety assessment, hexanoic acid, CAS Registry Number 142-62-1.". Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. https://doi.org/10.1016/j.fct.2020.111263
  11. db:crossref (2017). "Investigation of (Hexanoic acid)". Chemical Effects in Biological Systems (CEBS). https://doi.org/10.22427/ntp-data-dtxsid7021607
  12. db:pubmed López-Velázquez D, Mendoza A. (2013). "6-[(4'-Ethoxycarbonyl-[1,1'-biphenyl]-4-yl)oxy]hexanoic acid.". Acta crystallographica. Section E, Structure reports online. https://doi.org/10.1107/S1600536813025877
  13. db:crossref (2012). "Hexanoic Acid 142‐62‐1". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp39323
  14. db:pubmed Jeon BS, Kim BC, Um Y et al.. (2010). "Production of hexanoic acid from D-galactitol by a newly isolated Clostridium sp. BS-1.". Applied microbiology and biotechnology. https://doi.org/10.1007/s00253-010-2827-5
  15. db:crossref (2007). "Hexanoic Acid". Hawley's Condensed Chemical Dictionary. https://doi.org/10.1002/9780470114735.hawley08384
  16. db:pubmed Gastone C, Puiggalí J, Font-Bardia M et al.. (2006). "6-(2-Chloroacetamido)hexanoic acid.". Acta crystallographica. Section C, Crystal structure communications. https://doi.org/10.1107/S0108270106022827
  17. db:crossref Eugenio Llorens Vilarrocha. (0). "Induced resistance in citrus by hexanoic acid". https://doi.org/10.6035/14002.2014.149545
  18. db:crossref (0). "Hexanoic Acid". https://doi.org/10.31003/fcc_f101289_02_01
物质监管状态
在已检查的限制清单(SVHC候选清单、REACH附件XVII;数据集不完整——这不构成合规确认)中未找到该CAS号的条目。CLP分类和运输状态(ADR):请参见GHS章节及安全数据表(SDS)。
🧪 化学数据
CAS号
142-62-1
分子式
C6H12O2
摩尔质量
116.16 g/mol
IUPAC名称 (EN)
hexanoic acid
SMILES
CCCCCC(=O)O
InChIKey
FUZZWVXGSFPDMH-UHFFFAOYSA-N
⚗️ Physicochemical properties
Temp. wrzenia
203.9
Temp. topnienia
-3.4
Density
0.929

Source: PubChem, NIST WebBook. Last updated: 2026-09-02

🔍 外部标识符
13 / 16个ID系统81%
数据库标识符操作
CAS Registry Number142-62-1打开 →
PubChem CID8892[1]打开 →
InChIKeyFUZZWVXGSFPDMH-UHFFFAOYSA-N[1]打开 →
InChIInChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,…[1]
SMILESCCCCCC(=O)O[1]
EC Number205-550-7[2]打开 →
ChEMBLCHEMBL14184[3]打开 →
KEGG CompoundC01585打开 →
HMDBHMDB0000535打开 →
ChemSpider8552[4]打开 →
UNII (FDA)1F8SN134MX打开 →
NSC Number (NCI)8266打开 →
WikiData QIDQ422597打开 →

来源:PubChem (NIH)、Wikidata SPARQL、KEGG、ChEMBL (EBI)、CompTox CTX (EPA)。

📚 科学参考文献(芝加哥作者-日期格式) (4 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. applies to: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. applies to: EC Number
  3. ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. applies to: ChEMBL
  4. ChemSpider. Royal Society of Chemistry, chemical structure database. applies to: ChemSpider

Further reading

Publications thematically related to this CAS. They are not the source of any value shown on this card.

扩展参考文献 (2)

  1. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. "Hexanoic Acid.". https://doi.org/10.31003/fcc_f101289_02_01. 链接 [访问日期: 2026-09-03]
  2. ★☆☆☆☆ OPENLIBRARY ❓ ? A J. Nash. 1976. "The synthesis of 6-amino-n-hexanoic acid 4-nitrophenyl esters, suitable for sequential polymerisation studies." The author. 链接 [访问日期: 2026-09-03]

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