1,2-Decanediol - ≥98% , CAS No.1119-86-4

CAS: 1119-86-4 Cat. No.: D154360 Summenformel: C₁₀H₂₂O₂ Molekulargewicht: 174.28 Beilstein Registry Number: 1494 EG-Nummer: 214-288-2

GRADE & PURITY ≥98%

Synonyms

SB47801 | MFCD00010739 | SB47825 | SYMCLARIOL | 1,2-Decanediol | CHEBI:143858 | AI3-16595 | DECYLENE GLYCOL [INCI] | J-640309 | N-DECANE-1,2-DIOL | 1,2-DECYLENE GLYCOL | SYMCLARIOL 344028 | 1,2-Dihydroxydecane | FT-0606327 | AS-56551 | D2720 | EN300-26773

Storage

Room temperature,Argon charged

Shipped In

Normal

Application

Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Specifications

Synonyme

SB47801 | MFCD00010739 | SB47825 | SYMCLARIOL | 1,2-Decanediol | CHEBI:143858 | AI3-16595 | DECYLENE GLYCOL [INCI] | J-640309 | N-DECANE-1,2-DIOL | 1,2-DECYLENE GLYCOL | SYMCLARIOL 344028 | 1,2-Dihydroxydecane | FT-0606327 | AS-56551 | D2720 | EN300-26773

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504755350

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755350

Kanonisches Lächeln

CCCCCCCCC(CO)O

IUPAC Name

decane-1,2-diol

InChIKey

YSRSBDQINUMTIF-UHFFFAOYSA-N

INCHI

1S/C10H22O2/c1-2-3-4-5-6-7-8-10(12)9-11/h10-12H,2-9H2,1H3

Isomere SMILES

CCCCCCCCC(CO)O

Molekulargewicht

174.28

Beilstein

1494

Reaxy-Rn

1738425

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738425&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Secondary alcohols 1,2-diols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Secondary alcohol - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Siedepunkt (°C): 168 °C
• Schmelzpunkt (°C): 49 °C
• Molekulargewicht: 174.280 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 174.162 Da
• Monoisotopic Mass: 174.162 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 83.900
• 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