1,2-Hexadecanediol - ≥98% , CAS No.6920-24-7

CAS: 6920-24-7 Cat. No.: H129154 Molecular Weight: 258.44 Beilstein Registry Number: 1722206 EC Number: 230-030-1

GRADE & PURITY ≥98%

Synonyms

2-HYDROXYCETYL ALCOHOL | hexadecan-1,2-diol | UNII-1H07JK4G0C | Hexadecane-1,2-diol | AS-57146 | Codeine sulfate anhydrous | (3-OXO-BUTYRYL)-CARBAMICACIDETHYLESTER | 1,2-Hexadecanediol, technical grade, 90% | SCHEMBL28807 | FT-0606462 | NSC71525 | Cetyl g

Storage

Room temperature

Shipped In

Normal

Overview

Reducing agent used to prepare silver nanocrystals from a dichlorobenzene solution containing oleyl amine as a surfactant.

Specifications

Synonyms

2-HYDROXYCETYL ALCOHOL | hexadecan-1, 2-diol | UNII-1H07JK4G0C | Hexadecane-1, 2-diol | AS-57146 | Codeine sulfate anhydrous | (3-OXO-BUTYRYL)-CARBAMICACIDETHYLESTER | 1, 2-Hexadecanediol, technical grade, 90% | SCHEMBL28807 | FT-0606462 | NSC71525 | Cetyl g

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187104
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187104
• Canonical Smiles: CCCCCCCCCCCCCCC(CO)O
• IUPAC Name: hexadecane-1,2-diol
• InChIKey: BTOOAFQCTJZDRC-UHFFFAOYSA-N
• INCHI: 1S/C16H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h16-18H,2-15H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCCCC(CO)O
• WGK Germany: 1
• Molecular Weight: 258.44
• Beilstein: 1722206
• Reaxy-Rn: 1722206
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1722206&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: Long-chain fatty alcohols
• Alternative Parents: Secondary alcohols 1,2-diols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long chain fatty alcohol - Secondary alcohol - 1,2-diol - 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 long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.
• External Descriptors: glycol

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

• Flash Point(°C): 183°C
• Melt Point(°C): 74.0-78.0°C
• Molecular Weight: 258.440 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 258.256 Da
• Monoisotopic Mass: 258.256 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 148.000
• 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

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