2-Methyl-3-hexanol - ≥95% , CAS No.617-29-8

CAS: 617-29-8 Cat. No.: M352404 Formula: C₇H₁₆O Peso molecolare: 116.20 Numero EC: 210-508-6

GRADE & PURITY ≥95%

Synonyms

SCHEMBL107758 | 1-Isopropyl-1-butanol | DTXSID90862295 | NSC91501 | NSC-91501 | 2-Methyl-3-hexanol, 98% | RGRUUTLDBCWYBL-UHFFFAOYSA-N | 5-Methyl-4-hexanol | 03F9K11C7W | 2-Methylhexan-3-ol | 2-METHYL-3-HEXANOL | 1-ISOPROPYLBUTYL ALCOHOL | UNII-03F9K11C7W

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SCHEMBL107758 | 1-Isopropyl-1-butanol | DTXSID90862295 | NSC91501 | NSC-91501 | 2-Methyl-3-hexanol, 98% | RGRUUTLDBCWYBL-UHFFFAOYSA-N | 5-Methyl-4-hexanol | 03F9K11C7W | 2-Methylhexan-3-ol | 2-METHYL-3-HEXANOL | 1-ISOPROPYLBUTYL ALCOHOL | UNII-03F9K11C7W

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CCCC(C(C)C)O
• IUPAC Name: 2-methylhexan-3-ol
• InChIKey: RGRUUTLDBCWYBL-UHFFFAOYSA-N
• INCHI: 1S/C7H16O/c1-4-5-7(8)6(2)3/h6-8H,4-5H2,1-3H3
• Isomeri SMILES: CCCC(C(C)C)O
• Numero UN: UN1987
• Gruppo di imballaggio: III
• Peso molecolare: 116.20
• Reaxy-Rn: 1719040
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719040&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: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): 41 °C
• Punto di ebollizione (°C): 145° C
• Peso molecolare: 116.200 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 116.12 Da
• Monoisotopic Mass: 116.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 50.300
• 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