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

CAS: 4798-44-1 Cat. No.: H157268 Summenformel: C₆H₁₂O Molekulargewicht: 100.16 Beilstein Registry Number: 1(2)485 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥97%(GC)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%(GC)

Namen und Kennungen

Pubchem Sid

504753009

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753009

Kanonisches Lächeln

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

Isomere SMILES

CCCC(C=C)O

WGK Deutschland

3

UN-Nummer

1987

Verpackungsgruppe

III

Molekulargewicht

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
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.43
• Flammpunkt (°F): 95 °F
• Flammpunkt (°C): 35°C(lit.)
• Siedepunkt (°C): 134°C
• Molekulargewicht: 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