1,10-Décanediol - Moligand™, ≥98% , CAS No.112-47-0

CAS: 112-47-0 Cat. No.: D107052 Formule: C₁₀H₂₂O₂ Poids moléculaire: 174.28 Beilstein Registry Number: 1698975 Numéro CE: 203-975-2

GRADE & PURITY Moligand™, ≥98%

Synonyms

Décaméthylène glycol | 1,10-Dihydroxydécane

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

le 1,10-décanediol est un intermédiaire mineur dans la production de polyesters. Il est également utilisé dans les essences, les parfums et les produits pharmaceutiques. Le diacrylate est hydrophobe et utilisé pour les matériaux dentaires flexibles, les revêtements durcissables par rayonnement et les lentilles.

Specifications

Synonymes

Décaméthylène glycol | 1,10-Dihydroxydécane

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Moligand™

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488183286

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183286

Sourires canoniques

C(CCCCCO)CCCCO

IUPAC Name

decane-1,10-diol

InChIKey

FOTKYAAJKYLFFN-UHFFFAOYSA-N

INCHI

1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2

Isomères SMILES

C(CCCCCO)CCCCO

WGK Allemagne

1

RTECS

HD8433713

Poids moléculaire

174.28

Beilstein

1698975

Reaxy-Rn

1698975

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698975&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: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - 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 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

Propriétés chimiques et physiques

• Solubilité: Soluble in alcohol. Insoluble in water, petroleum ether.
• Point d'éclair (°F): 305.6 °F
• Point d'éclair (°C): 152℃
• Point d'ébullition (°C): 297°C
• Point de fusion (°C): 71-75°C
• Poids moléculaire: 174.280 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• 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: 64.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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