Stearic acid-¹³C18 - ≥98 atom% 13C,≥97% , CAS No.287100-83-8

CAS: 287100-83-8 Cat. No.: S345526 Formule: (¹³C)₁₈H₃₆O₂ Poids moléculaire: 302.35 Numéro CE: 693-806-2 PubChem CID: 16217539

GRADE & PURITY ≥98 atom% 13C,≥97%

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

Shipped In

Normal

Specifications

Synonymes

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

Spécifications et pureté

≥98 atom% 13C,≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98 atom% 13C,≥97%

Noms et identifiants

Pubchem Sid

488199239

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199239

Sourires canoniques

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

Isomères SMILES

[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)O

PubChem CID

16217539

Poids moléculaire

302.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 361° C (lit.)
• Point de fusion (°C): 68-70° C (lit.)
• Poids moléculaire: 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