(S)-(+)-3-Octanol - ≥97% , CAS No.22658-92-0

CAS: 22658-92-0 Cat. No.: S468969 Formula: C₈H₁₈O Peso molecolare: 130.23 Numero EC: 627-983-4

GRADE & PURITY ≥97%

Synonyms

LMFA05000492 | (S)-octan-3-ol | DTXSID40426427 | (S)-(+)-3-Octanol | (3S)-octan-3-ol | (3S)-3-octanol | SCHEMBL6826944 | J-014802 | Octan-3S-ol | (S)-(+)-3-Octanol, 97%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

LMFA05000492 | (S)-octan-3-ol | DTXSID40426427 | (S)-(+)-3-Octanol | (3S)-octan-3-ol | (3S)-3-octanol | SCHEMBL6826944 | J-014802 | Octan-3S-ol | (S)-(+)-3-Octanol, 97%

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 528753285
• Sorrisi canonici: CCCCCC(CC)O
• IUPAC Name: (3S)-octan-3-ol
• InChIKey: NMRPBPVERJPACX-QMMMGPOBSA-N
• INCHI: 1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1
• Isomeri SMILES: CCCCC[C@H](CC)O
• WGK Germania: 3
• Peso molecolare: 130.23
• Reaxy-Rn: 1719307
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719307&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: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descrizione: 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: Fatty alcohols

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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Punto di infiammabilità (°F): 154.4 °F
• Punto di infiammabilità (°C): 68 °C
• Peso molecolare: 130.229 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• 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: 52.500
• 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