2-Dodecyl-p-cresol - ≥98% , CAS No.25912-91-8

CAS: 25912-91-8 Cat. No.: D155513 分子式: C₁₉H₃₂O 分子量: 276.46

GRADE & PURITY ≥98%

Synonyms

D90039 | 2-Dodecyl-4-methylphenol # | 2-Dodecyl-4-methylphenol, AldrichCPR | MFCD00191638 | 2-n-Dodecyl-p-cresol | FT-0638555 | SCHEMBL361376 | AS-59105 | OCDBOZHPSDAPFB-UHFFFAOYSA-N | DTXSID20347621 | 2-Dodecyl-p-cresol | 2-Dodecyl-4-methylphenol | AKOS0

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

D90039 | 2-Dodecyl-4-methylphenol # | 2-Dodecyl-4-methylphenol, AldrichCPR | MFCD00191638 | 2-n-Dodecyl-p-cresol | FT-0638555 | SCHEMBL361376 | AS-59105 | OCDBOZHPSDAPFB-UHFFFAOYSA-N | DTXSID20347621 | 2-Dodecyl-p-cresol | 2-Dodecyl-4-methylphenol | AKOS0

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

カノニカル・スマイル

CCCCCCCCCCCCC1=C(C=CC(=C1)C)O

IUPAC Name

2-dodecyl-4-methylphenol

InChIKey

OCDBOZHPSDAPFB-UHFFFAOYSA-N

INCHI

1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-13-18-16-17(2)14-15-19(18)20/h14-16,20H,3-13H2,1-2H3

異性体SMILES

CCCCCCCCCCCCC1=C(C=CC(=C1)C)O

分子量

276.46

Reaxy-Rn

29963414

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29963414&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Para cresols
• Alternative Parents: Toluenes 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as para cresols. These are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4.
• 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

• 融点（°C）: 47 °C
• 分子量: 276.500 g/mol
• XLogP3: 8.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 276.245 Da
• Monoisotopic Mass: 276.245 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 214.000
• 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