Isohexanol - ≥97%(GC) , CAS No.626-89-1

CAS: 626-89-1 Cat. No.: I136441 Formula: C₆H₁₄O Peso molecolare: 102.18 Beilstein Registry Number: 1411 Numero EC: 210-969-3

QUALITÀ & PUREZZA ≥97%(GC)

Synonyms

Isohexyl alcohol | DTXSID0044313 | M0775 | UNII-X796XFP7D4 | SCHEMBL23739 | 4-METHYL-1-PENTANOL | HY-W007511 | Isohexanol | F20439 | A848895 | BCP06801 | MFCD00002962 | CAS-626-89-1 | EINECS 210-969-3 | FT-0612065 | SY016761 | 1-Pentanol, 4-methyl- | Tox2

Storage

Room temperature

Shipped In

Normal

Panoramica

4-Methyl-1-pentanol may have antimicrobial effects.
May have antimicrobial effects

Specifiche

Sinonimi

Isohexyl alcohol | DTXSID0044313 | M0775 | UNII-X796XFP7D4 | SCHEMBL23739 | 4-METHYL-1-PENTANOL | HY-W007511 | Isohexanol | F20439 | A848895 | BCP06801 | MFCD00002962 | CAS-626-89-1 | EINECS 210-969-3 | FT-0612065 | SY016761 | 1-Pentanol, 4-methyl- | Tox2

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

504752298

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752298

Sorrisi canonici

CC(C)CCCO

IUPAC Name

4-methylpentan-1-ol

InChIKey

PCWGTDULNUVNBN-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

CC(C)CCCO

WGK Germania

3

RTECS

NR3020000

Numero UN

1987

Gruppo di imballaggio

III

Peso molecolare

102.18

Beilstein

1411

Reaxy-Rn

1731303

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731303&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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.42
• Punto di infiammabilità (°F): 134.6 °F
• Punto di infiammabilità (°C): 57°C(lit.)
• Punto di ebollizione (°C): 160-165°C
• Peso molecolare: 102.170 g/mol
• XLogP3: 1.600
• 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: 33.200
• 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