Stearic acid-¹³C₁₈ - ≥99 atom% 13C,≥99% , CAS No.287100-83-8

CAS: 287100-83-8 Cat. No.: S474092 分子式: (¹³C)₁₈H₃₆O₂ 分子量: 302.35 EC番号: 693-806-2 PubChem CID: 16217539

GRADE & PURITY ≥99 atom% 13C,≥99%

Synonyms

Stearic acid-13C18 | Stearic acid-13C18, 99 atom % 13C, 99% (CP) | (1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-13C18)octadecanoic acid | J-017205 | HY-B2219S2 | (~13~C_18_)Octadecanoic acid | DTXSID20584438 | SCHEMBL1332338 | Octadecanoic-13C18 acid (9C

Storage

Room temperature

Specifications

同義語

Stearic acid-13C18 | Stearic acid-13C18, 99 atom % 13C, 99% (CP) | (1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-13C18)octadecanoic acid | J-017205 | HY-B2219S2 | (~13~C_18_)Octadecanoic acid | DTXSID20584438 | SCHEMBL1332338 | Octadecanoic-13C18 acid (9C

仕様と純度

≥99 atom% 13C,≥99%

保管条件

Room temperature

純度

≥99 atom% 13C,≥99%

名前と識別子

• カノニカル・スマイル: CCCCCCCCCCCCCCCCCC(=O)O
• IUPAC Name: (1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-13C18)octadecanoic acid
• InChIKey: QIQXTHQIDYTFRH-HXPQJNGISA-N
• INCHI: 1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+1
• 異性体SMILES: [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)O
• PubChem CID: 16217539
• 分子量: 302.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Not available

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）: 235.4 °F
• 引火点（°C）: 113 °C
• 沸点（°C）: 361° C (lit.)
• 融点（°C）: 68-70° C (lit.)
• 分子量: 302.350 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 302.332 Da
• Monoisotopic Mass: 302.332 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 202.000
• Isotope Atom Count: 18
• 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 isotopically enriched to ≥99 atom% carbon-13. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 287100-83-8, the molecular formula is C18H36O2, and the molecular weight is 302.35 g/mol. InChIKey QIQXTHQIDYTFRH-HXPQJNGISA-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.