1,3-Di-O-benzyl-2-O-lauroylglycerol - ≥85%(GC) , CAS No.519177-07-2

CAS: 519177-07-2 Cat. No.: D155857 Peso molecular: 454.65 PubChem CID: 44629829

GRADE & PURITY ≥85%(GC)

Synonyms

1,3-Bis(benzyloxy)isopropyl Dodecanoate | Dodecanoicacid,2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethylester | DTXSID20659771 | MFCD09038522 | D3524 | Dodecanoic acid, 2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethyl ester | 1,3-bis(phenylmethoxy)propan

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1, 3-Bis(benzyloxy)isopropyl Dodecanoate | Dodecanoicacid, 2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethylester | DTXSID20659771 | MFCD09038522 | D3524 | Dodecanoic acid, 2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethyl ester | 1, 3-bis(phenylmethoxy)propan

Especificaciones y pureza

≥85%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥85%(GC)

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCC(=O)OC(COCC1=CC=CC=C1)COCC2=CC=CC=C2
• IUPAC Name: 1,3-bis(phenylmethoxy)propan-2-yl dodecanoate
• InChIKey: HMRAWECRZFFMJY-UHFFFAOYSA-N
• INCHI: 1S/C29H42O4/c1-2-3-4-5-6-7-8-9-16-21-29(30)33-28(24-31-22-26-17-12-10-13-18-26)25-32-23-27-19-14-11-15-20-27/h10-15,17-20,28H,2-9,16,21-25H2,1H3
• Isómeros SMILES: CCCCCCCCCCCC(=O)OC(COCC1=CC=CC=C1)COCC2=CC=CC=C2
• PubChem CID: 44629829
• Peso molecular: 454.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Glycerol ethers Fatty acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Fatty acid ester - Glycerol ether - Glycerolipid - Fatty acyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.5
• Punto de inflamación (°C): 231 °C
• Peso molecular: 454.600 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 20
• Exact Mass: 454.308 Da
• Monoisotopic Mass: 454.308 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 431.000
• 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