3-Tetradecanone - ≥95% , CAS No.629-23-2

CAS: 629-23-2 Cat. No.: T162162 Summenformel: C₁₄H₂₈O Molekulargewicht: 212.38 Beilstein Registry Number: 1(3)2919 EG-Nummer: 211-081-9 PubChem CID: 69418

QUALITÄT & REINHEIT ≥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

Normal

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488184320

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184320

Kanonisches Lächeln

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

Isomere SMILES

CCCCCCCCCCCC(=O)CC

PubChem CID

69418

Molekulargewicht

212.38

Beilstein

1(3)2919

Reaxy-Rn

1763004

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 66°C(lit.)
• Flammpunkt (°C): 66°C(lit.)
• Siedepunkt (°C): 152°C/16mmHg(lit.)
• Schmelzpunkt (°C): 34 °C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.