cis-4-Hexen-1-ol - ≥95%(GC) , CAS No.928-91-6

CAS: 928-91-6 Cat. No.: C153483 Formule: C₆H₁₂O Poids moléculaire: 100.16 Numéro CE: 213-187-0

GRADE & PURITY ≥95%(GC)

Synonyms

cis-1-Hydroxy-4-hexene | FEMA NO. 3430, Z- | 4-HEXEN-1-OL, CIS- | HY-W127617 | AKOS006230030 | UNII-780WMA6J84 | cis-4-Hexen-1-ol | A844378 | 2,5-T Amyl ester | hex-4-en-1-ol | cis-4-hexenol | 780WMA6J84 | cis-4-Hexen-1-ol, >=95.0% (GC) | (4Z)-4-Hexen-1-o

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonymes

cis-1-Hydroxy-4-hexene | FEMA NO. 3430, Z- | 4-HEXEN-1-OL, CIS- | HY-W127617 | AKOS006230030 | UNII-780WMA6J84 | cis-4-Hexen-1-ol | A844378 | 2,5-T Amyl ester | hex-4-en-1-ol | cis-4-hexenol | 780WMA6J84 | cis-4-Hexen-1-ol, >=95.0% (GC) | (4Z)-4-Hexen-1-o

Spécifications et pureté

≥95%(GC)

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥95%(GC)

Noms et identifiants

Sourires canoniques

CC=CCCCO

IUPAC Name

(Z)-hex-4-en-1-ol

InChIKey

VTIODUHBZHNXFP-IHWYPQMZSA-N

INCHI

1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2-

Isomères SMILES

C/C=C\CCCO

Poids moléculaire

100.16

Reaxy-Rn

1739757

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739757&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• 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

• Indice de réfraction: 1.44
• Point d'éclair (°F): 65°C(lit.)
• Point d'éclair (°C): 65°C(lit.)
• Point d'ébullition (°C): 158°C(lit.)
• Poids moléculaire: 100.160 g/mol
• XLogP3: 1.200
• 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: 48.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1