2-Tetradecanone - ≥97%(GC) , CAS No.2345-27-9

CAS: 2345-27-9 Cat. No.: T162161 Fórmula: C₁₄H₂₈O Peso molecular: 212.38 Beilstein Registry Number: 1(4)3389 PubChem CID: 75364

GRADE & PURITY ≥97%(GC)

Synonyms

2-Tetradecanone | 6XQM5Y5KKR | EINECS 219-063-2 | methyl dodecyl ketone | LMFA12000177 | T72124 | CHEBI:89818 | Tetradecan-2-one | FT-0734532 | SCHEMBL162632 | Dodecyl Methyl Ketone | T1314 | DTXSID10177999 | Q27162006 | AS-56658 | AKOS009159000 | CAA3452

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Tetradecanone | 6XQM5Y5KKR | EINECS 219-063-2 | methyl dodecyl ketone | LMFA12000177 | T72124 | CHEBI:89818 | Tetradecan-2-one | FT-0734532 | SCHEMBL162632 | Dodecyl Methyl Ketone | T1314 | DTXSID10177999 | Q27162006 | AS-56658 | AKOS009159000 | CAA3452

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

• Pubchem Sid: 488185087
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185087
• Sorrisos canónicos: CCCCCCCCCCCCC(=O)C
• IUPAC Name: tetradecan-2-one
• InChIKey: POQLVOYRGNFGRM-UHFFFAOYSA-N
• INCHI: 1S/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h3-13H2,1-2H3
• SMILES isoméricas: CCCCCCCCCCCCC(=O)C
• PubChem CID: 75364
• Peso molecular: 212.38
• Beilstein: 1(4)3389
• Reaxy-Rn: 1762256

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• External Descriptors: Oxygenated hydrocarbons

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Ponto de ebulição (°C): 148°C/8.3mmHg
• Ponto de fusão (°C): 33-37°C
• Peso molecular: 212.370 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 212.214 Da
• Monoisotopic Mass: 212.214 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 140.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referências

1. Tao Tang, Fanfan Wang, Houyun Huang, Nengneng Xie, Jie Guo, Xiaoliang Guo, Yuanyuan Duan, Xiaoyue Wang, Qingfang Wang, Jingmao You.  (2024)  Antipathogenic Activities of Volatile Organic Compounds Produced by Bacillus velezensis LT1 against Sclerotium rolfsii LC1, the Pathogen of Southern Blight in Coptis chinensis.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:38657235] [10.1021/acs.jafc.4c00984]

2. Qiangbo Zhao, Ruhan Xia, Pengxiang Han, Jiangyuan Han, Weihua Zhao, Xiangyan Zhou, Fuqiang Xu, Wenzhi Yao, Jianhe Wei, Miaoyin Dong, Mengfei Li.  (2026)  Biocontrol efficiency and potential mechanism of Bacillus subtilis GNRP-01A against Astragalus mongholicus root rot.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2026.122842]

3. Qingfu Wang, Jiaming Zhao, Zening Wang, Liuke Zhang, Lei Li, Yibo Ning, Zhipeng Jing, Pengfei Yang, Yongzhen Zhao, Changtong Lu.  (2026)  Study on the enhancement of volatile components extraction from Lysimachia foenum-graecum Hance essential oil by metal salts.  Frontiers in Chemistry,      [PMID:42482699] [10.3389/fchem.2026.1869613]

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2345-27-9, the molecular formula is C14H28O, and the molecular weight is 212.38 g/mol. InChIKey POQLVOYRGNFGRM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.