(S)-(+)-2-Octanol - ≥98%(GC) , CAS No.6169-06-8

CAS: 6169-06-8 Cat. No.: S161171 Formula: C₈H₁₈O Molecular Weight: 130.23 Beilstein Registry Number: 1(4)1770 EC Number: 228-213-6

GRADE & PURITY ≥98%(GC)

Synonyms

(S)-(+)-2-Octanol, 99% | D-(+)-OCTAN-2-OL | W-105112 | (S)-(+)-octan-2-ol | 2-Octanol (S) | A805175 | AKOS015840328 | (S)-2-OCTYL ALCOHOL | AKOS015889263 | d-2-octanol | LMFA05000551 | (S)-(+)-Hexylmethylcarbinol | SCHEMBL619761 | (+)-2-octanol | (S)-(+)-

Storage

Room temperature,Desiccated

Shipped In

Normal

Overview

(S)-(+)-2-Octanol can be used:

· To prepare the solution of 5-(benzyloxy)-isophthalic acid derivative, which is used as a 2D chiral self-assembly system comprising pyrolytic graphite.

· As a chiral template in the study of enantioselective glycidol esterification.

· As a starting material for the preparation of (+)-(S)-2-octyI tosylate, an intermediate used to prepare (-)-(R)-2-halo and azido octanes.

Specifications

Synonyms

(S)-(+)-2-Octanol, 99% | D-(+)-OCTAN-2-OL | W-105112 | (S)-(+)-octan-2-ol | 2-Octanol (S) | A805175 | AKOS015840328 | (S)-2-OCTYL ALCOHOL | AKOS015889263 | d-2-octanol | LMFA05000551 | (S)-(+)-Hexylmethylcarbinol | SCHEMBL619761 | (+)-2-octanol | (S)-(+)-

Specifications & Purity

≥98%(GC)

Storage

Room temperature,Desiccated

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488192213

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192213

Canonical Smiles

CCCCCCC(C)O

IUPAC Name

(2S)-octan-2-ol

InChIKey

SJWFXCIHNDVPSH-QMMMGPOBSA-N

INCHI

1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m0/s1

Isomeric SMILES

CCCCCC[C@H](C)O

Molecular Weight

130.23

Beilstein

1(4)1770

Reaxy-Rn

1719322

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719322&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• 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: octan-2-ol

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

Chemical and Physical Properties

• Solubility: Soluble in water. (1.12 g/L) at 25°C
• x_refractive_index: 1.43
• x_specific_rotation: 10° (neat)
• x_flash_point_drop_centigrade: 76 °C
• Molecular Weight: 130.229 g/mol
• XLogP3: 2.900
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6169-06-8, the molecular formula is C8H18O, and the molecular weight is 130.23 g/mol. InChIKey SJWFXCIHNDVPSH-QMMMGPOBSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.