3-テトラデカノン - ≥95% , CAS No.629-23-2

CAS: 629-23-2 Cat. No.: T162162 分子式: C₁₄H₂₈O 分子量: 212.38 Beilstein Registry Number: 1(3)2919 EC番号: 211-081-9 PubChem CID: 69418

GRADE & PURITY ≥95%

Synonyms

T72737 | OCHYRSKMMMYUMI-UHFFFAOYSA-N | MFCD00026563 | T1760 | DTXSID30212073 | 8A6HE775UW | Q63398254 | AKOS009159188 | 3-Tetradecanone | AI3-04251 | Ethyl Undecyl Ketone | NSC158516 | NSC-158516 | NSC 158516 | EINECS 211-081-9 | SCHEMBL2126644 | UNII-8A6

Storage

Room temperature

Shipped In

ノーマル

Specifications

同義語

T72737 | OCHYRSKMMMYUMI-UHFFFAOYSA-N | MFCD00026563 | T1760 | DTXSID30212073 | 8A6HE775UW | Q63398254 | AKOS009159188 | 3-Tetradecanone | AI3-04251 | Ethyl Undecyl Ketone | NSC158516 | NSC-158516 | NSC 158516 | EINECS 211-081-9 | SCHEMBL2126644 | UNII-8A6

仕様と純度

≥95%

保管条件

Room temperature

入荷

ノーマル

純度

≥95%

名前と識別子

• パブケム・シド: 488184320
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488184320
• カノニカル・スマイル: CCCCCCCCCCCC(=O)CC
• IUPAC Name: tetradecan-3-one
• InChIKey: OCHYRSKMMMYUMI-UHFFFAOYSA-N
• INCHI: 1S/C14H28O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h3-13H2,1-2H3
• 異性体SMILES: CCCCCCCCCCCC(=O)CC
• PubChem CID: 69418
• 分子量: 212.38
• Beilstein: 1(3)2919
• Reaxy-Rn: 1763004

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 引火点（°F）: 66°C(lit.)
• 引火点（°C）: 66°C(lit.)
• 沸点（°C）: 152°C/16mmHg(lit.)
• 融点（°C）: 34 °C
• 分子量: 212.370 g/mol
• XLogP3: 5.600
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). 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 629-23-2, the molecular formula is C14H28O, and the molecular weight is 212.38 g/mol. InChIKey OCHYRSKMMMYUMI-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.