1-Hexen-3-ol - ≥97%(GC) , CAS No.4798-44-1

CAS: 4798-44-1 Cat. No.: H157268 Formula: C₆H₁₂O Peso molecolare: 100.16 Beilstein Registry Number: 1(2)485 Numero EC: 225-355-0

GRADE & PURITY ≥97%(GC)

Synonyms

1-Vinylbutanol | SY048915 | Hex-1-en-3-ol | Q27287030 | 1-HEXEN-3-OL, (+/-)- | EINECS 225-355-0 | 3-Hydroxy-1-hexene | 1-Hexen-3-ol stabilized with 0.1% alpha tocopherol | CHEBI:173346 | 1-HEXEN-3-OL | MFCD00004581 | Propyl vinyl carbinol | BVOSSZSHBZQJOI

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

1-Vinylbutanol | SY048915 | Hex-1-en-3-ol | Q27287030 | 1-HEXEN-3-OL, (+/-)- | EINECS 225-355-0 | 3-Hydroxy-1-hexene | 1-Hexen-3-ol stabilized with 0.1% alpha tocopherol | CHEBI:173346 | 1-HEXEN-3-OL | MFCD00004581 | Propyl vinyl carbinol | BVOSSZSHBZQJOI

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

• Pubchem Sid: 504753009
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753009
• Sorrisi canonici: CCCC(C=C)O
• IUPAC Name: hex-1-en-3-ol
• InChIKey: BVOSSZSHBZQJOI-UHFFFAOYSA-N
• INCHI: 1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3
• Isomeri SMILES: CCCC(C=C)O
• WGK Germania: 3
• Numero UN: 1987
• Gruppo di imballaggio: III
• Peso molecolare: 100.16
• Beilstein: 1(2)485
• Reaxy-Rn: 1720166
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720166&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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.43
• Punto di infiammabilità (°F): 95 °F
• Punto di infiammabilità (°C): 35°C(lit.)
• Punto di ebollizione (°C): 134°C
• Peso molecolare: 100.160 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 100.089 Da
• Monoisotopic Mass: 100.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 50.100
• 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