(S)-(+)-5-Hexen-2-ol - ≥97% , CAS No.17397-24-9

CAS: 17397-24-9 Cat. No.: I167904 Formule: CH₂=CHCH₂CH₂CH(OH)CH₃ Poids moléculaire: 100.16 Numéro CE: 626-090-7

GRADE & PURITY ≥97%

Synonyms

(+)-(S)-HEX-1-EN-5-OL | (S)-(+)-5-Hexen-2-ol | J-010955 | (S)-(+)-2-HYDROXYHEX-5-ENE | AKOS017343751 | EN300-322967 | SCHEMBL282934 | MFCD03701537 | (2S)-HEX-5-EN-2-OL | (S)-(+)-5-Hexen-2-ol, 97%, optical purity99.3% | (s)-hex-5-en-2-ol | 5-Hexen-2-ol,(2S

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

(+)-(S)-HEX-1-EN-5-OL | (S)-(+)-5-Hexen-2-ol | J-010955 | (S)-(+)-2-HYDROXYHEX-5-ENE | AKOS017343751 | EN300-322967 | SCHEMBL282934 | MFCD03701537 | (2S)-HEX-5-EN-2-OL | (S)-(+)-5-Hexen-2-ol, 97%, optical purity99.3% | (s)-hex-5-en-2-ol | 5-Hexen-2-ol,(2S

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Sourires canoniques

CC(CCC=C)O

IUPAC Name

(2S)-hex-5-en-2-ol

InChIKey

LNPNXWKVAFKIBX-LURJTMIESA-N

INCHI

1S/C6H12O/c1-3-4-5-6(2)7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1

Isomères SMILES

C[C@@H](CCC=C)O

WGK Allemagne

3

Poids moléculaire

100.16

Reaxy-Rn

1719723

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719723&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
• Description: 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

Propriétés chimiques et physiques

• Point d'éclair (°F): 109.4 °F
• Point d'éclair (°C): 43 °C
• Poids moléculaire: 100.160 g/mol
• XLogP3: 1.400
• 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: 1
• 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