alcohol 2,4-dimetilbencílico - ≥98%(GC) , CAS No.16308-92-2

CAS: 16308-92-2 Cat. No.: D155716 Peso molecular: 136.19 Número EC: 240-393-8

GRADE & PURITY ≥98%(GC)

Synonyms

Benzyl alcohol, 2,4-dimethyl- | 2,4-Dimethylbenzenemethanol | EN300-140495 | 2,4 -dimethylbenzyl alcohol | (2,4-Dimethylphenyl)methanol | (2,4-Dimethyl-phenyl)-methanol | AKOS000249316 | EINECS 240-393-8 | InChI=1/C9H12O/c1-7-3-4-9(6-10)8(2)5-7/h3-5,10H,6

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Benzyl alcohol, 2, 4-dimethyl- | 2, 4-Dimethylbenzenemethanol | EN300-140495 | 2, 4 -dimethylbenzyl alcohol | (2, 4-Dimethylphenyl)methanol | (2, 4-Dimethyl-phenyl)-methanol | AKOS000249316 | EINECS 240-393-8 | InChI=1/C9H12O/c1-7-3-4-9(6-10)8(2)5-7/h3-5, 10H, 6

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504753366
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753366
• Sonrisas canónicas: CC1=CC(=C(C=C1)CO)C
• IUPAC Name: (2,4-dimethylphenyl)methanol
• InChIKey: QUIMJTKRVOBTQN-UHFFFAOYSA-N
• INCHI: 1S/C9H12O/c1-7-3-4-9(6-10)8(2)5-7/h3-5,10H,6H2,1-2H3
• Isómeros SMILES: CC1=CC(=C(C=C1)CO)C
• Peso molecular: 136.19
• Reaxy-Rn: 1859679
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1859679&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyl alcohols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: m-Xylenes Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Xylene - Benzyl alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.54
• Punto de ebullición (°C): 120°C/13mmHg(lit.)
• Punto de fusión (°C): 25 °C
• Peso molecular: 136.190 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.089 Da
• Monoisotopic Mass: 136.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 101.000
• 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