2-Ethyl-4-methylpentan-1-ol - ≥97% , CAS No.106-67-2

CAS: 106-67-2 Cat. No.: E586299 Formule: C₈H₁₈O Poids moléculaire: 130.23 Numéro CE: 203-422-5

GRADE & PURITY ≥97%

Synonyms

2-Ethyl-4-methylpentan-1-ol | SCHEMBL135878 | QSPL 107 | 4-01-00-01792 (Beilstein Handbook Reference) | UNII-80V2E9GXUZ | BRN 1697441 | EINECS 203-422-5 | QCHSJPKDWOFACC-UHFFFAOYSA-N | EN300-7276493 | 1-Pentanol, 2-ethyl-4-methyl- | DTXSID90861723

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonymes

2-Ethyl-4-methylpentan-1-ol | SCHEMBL135878 | QSPL 107 | 4-01-00-01792 (Beilstein Handbook Reference) | UNII-80V2E9GXUZ | BRN 1697441 | EINECS 203-422-5 | QCHSJPKDWOFACC-UHFFFAOYSA-N | EN300-7276493 | 1-Pentanol, 2-ethyl-4-methyl- | DTXSID90861723

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504751472

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751472

Sourires canoniques

CCC(CC(C)C)CO

IUPAC Name

2-ethyl-4-methylpentan-1-ol

InChIKey

QCHSJPKDWOFACC-UHFFFAOYSA-N

INCHI

1S/C8H18O/c1-4-8(6-9)5-7(2)3/h7-9H,4-6H2,1-3H3

Isomères SMILES

CCC(CC(C)C)CO

Poids moléculaire

130.23

Reaxy-Rn

1697441

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697441&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
• Description: 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: 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

Propriétés chimiques et physiques

• Poids moléculaire: 130.229 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 130.136 Da
• Monoisotopic Mass: 130.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 59.600
• 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