3-Methyl-1-pentanol - ≥99%(GC) , CAS No.589-35-5

CAS: 589-35-5 Cat. No.: M158751 Fórmula: C₆H₁₄O Peso molecular: 102.18 Número CE: 209-644-9

GRADE & PURITY ≥99%(GC)

Synonyms

(DL)-3-METHYLPENTYL ALCOHOL | 3-Methyl-(.+/-.)-1-Pentanol | AI3-38563 | Q3278324 | EINECS 209-644-9 | 3-methyl pentan-1-ol | MFCD00002937 | EN300-140256 | SB83830 | 2-Ethyl-4-butanol | D91364 | 3-Methyl-1-pentanol, >=99%, FG | 3-METHYL-1-PENTANOL | AKOS00

Storage

Room temperature,Desiccated

Shipped In

Normal

Visão geral

3-Methyl-1-pentanol is a part of the fragrance structural group of branched chain saturated alcohols.
3-Methyl-1-pentanol ihas been used to study the headspace solid-phase dynamic extraction. This was coupled to gas chromatography–mass spectrometry (HS-SPDE-GC/MS) for the trace determination of polar volatile organic compounds (PVOC) from aqueous matrices.

Specifications

Sinónimos

(DL)-3-METHYLPENTYL ALCOHOL | 3-Methyl-(.+/-.)-1-Pentanol | AI3-38563 | Q3278324 | EINECS 209-644-9 | 3-methyl pentan-1-ol | MFCD00002937 | EN300-140256 | SB83830 | 2-Ethyl-4-butanol | D91364 | 3-Methyl-1-pentanol, >=99%, FG | 3-METHYL-1-PENTANOL | AKOS00

Especificações e pureza

≥99%(GC)

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Pureza

≥99%(GC)

Nomes e identificadores

Pubchem Sid

508809022

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809022

Sorrisos canónicos

CCC(C)CCO

IUPAC Name

3-methylpentan-1-ol

InChIKey

IWTBVKIGCDZRPL-UHFFFAOYSA-N

INCHI

1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3

SMILES isoméricas

CCC(C)CCO

WGK Alemanha

2

Peso molecular

102.18

Reaxy-Rn

1718979

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718979&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• External Descriptors: Fatty alcohols

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

Propriedades químicas e físicas

• Índice de refração: 1.418
• Ponto de inflamação (°F): 136 °F
• Ponto de inflamação (°C): 58℃
• Ponto de ebulição (°C): 151-152°C
• Peso molecular: 102.170 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• 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: 35.200
• 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