2-Allyl-6-methylphenol - ≥97% , CAS No.3354-58-3

CAS: 3354-58-3 Cat. No.: A331712 Fórmula: C₁₀H₁₂O Peso molecular: 148.20 Número EC: 222-124-6

GRADE & PURITY ≥97%

Synonyms

2-Methyl-6-(2-propenyl)phenol | F9995-1599 | 4-bromo-trifluoromethylbenzene | FT-0610993 | InChI=1/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3 | SY251122 | SCHEMBL722558 | WREVCRYZAWNLRZ-UHFFFAOYSA- | 2-Allyl-6-methylphenol

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

2-Methyl-6-(2-propenyl)phenol | F9995-1599 | 4-bromo-trifluoromethylbenzene | FT-0610993 | InChI=1/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3 | SY251122 | SCHEMBL722558 | WREVCRYZAWNLRZ-UHFFFAOYSA- | 2-Allyl-6-methylphenol

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

*material may darken in storage over time with no loss purity

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

528757253

Sonrisas canónicas

CC1=C(C(=CC=C1)CC=C)O

IUPAC Name

2-methyl-6-prop-2-enylphenol

InChIKey

WREVCRYZAWNLRZ-UHFFFAOYSA-N

INCHI

1S/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3

Isómeros SMILES

CC1=C(C(=CC=C1)CC=C)O

Número ONU

3145

Grupo de embalaje

III

Peso molecular

148.20

Reaxy-Rn

1364284

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1364284&ln=

Taxonomic Classification

Taxonomy Tree

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

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

• Rotación específica [α]: n20/D 1.538 (lit.)
• Punto de ebullición (°C): 231-233° C (lit.)
• Peso molecular: 148.200 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 148.089 Da
• Monoisotopic Mass: 148.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 131.000
• 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