2-Methyl-3-pentanol - ≥99% , CAS No.565-67-3

CAS: 565-67-3 Cat. No.: M304012 Fórmula: C₆H₁₄O Peso molecular: 102.17 Número EC: 209-286-3

GRADE & PURITY ≥99%

Synonyms

UNII-PVA5FLE5K2 | 2-Methyl-pentan-3-ol | 2-Methylpentan-3-ol | EN300-140250 | 4-Methyl-3-pentanol | SY237422 | ISTJMQSHILQAEC-UHFFFAOYSA- | (R)-3-Hydroxy-2-methylpentane | FT-0612953 | Z445987082 | 4-01-00-01716 (Beilstein Handbook Reference) | DTXSID7087

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Descripción general

Product introduction

2-Methyl-3-pentanol (Ethyl isopropyl carbinol) was detected by comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-ToFMS).

Application

2-Methyl-3-pentanol (Ethyl isopropyl carbinol) was used as a volatile marker  

Specifications

Sinónimos

UNII-PVA5FLE5K2 | 2-Methyl-pentan-3-ol | 2-Methylpentan-3-ol | EN300-140250 | 4-Methyl-3-pentanol | SY237422 | ISTJMQSHILQAEC-UHFFFAOYSA- | (R)-3-Hydroxy-2-methylpentane | FT-0612953 | Z445987082 | 4-01-00-01716 (Beilstein Handbook Reference) | DTXSID7087

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

FedEx DG Service

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488181293

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181293

Sonrisas canónicas

CCC(C(C)C)O

IUPAC Name

2-methylpentan-3-ol

InChIKey

ISTJMQSHILQAEC-UHFFFAOYSA-N

INCHI

1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3

Isómeros SMILES

CCC(C(C)C)O

Peso molecular

102.17

Reaxy-Rn

1718952

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718952&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• 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

• Solubilidad: Amalgamate with ethanol, ethyl ether, benzene. Insoluble in water
• Índice de refracción: 1.4170
• Punto de inflamación (°F): 114°F
• Punto de inflamación (°C): 46°
• Punto de ebullición (°C): 128°C (Lit.)
• Peso molecular: 102.170 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 102.104 Da
• Monoisotopic Mass: 102.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 41.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1