Diglycerol (mixture of isomers) - ≥80%(GC) , CAS No.627-82-7

CAS: 627-82-7 Cat. No.: D155987 Peso molecular: 166.17 Número EC: 211-013-8

GRADE & PURITY ≥80%(GC)

Synonyms

InChI=1/C6H14O5/c7-1-5(9)3-11-4-6(10)2-8/h5-10H,1-4H2 | GPLRAVKSCUXZTP-UHFFFAOYSA- | Tetrahydroxydipropyl Ether | DIGLYCERIN, .ALPHA.,.ALPHA.'- | MFCD00049316 | Q27291013 | SY053494 | 3YC120743U | 4-Oxaheptane-1,6,7-tetrol | AKOS015915864 | 4-Oxaheptane-1

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

InChI=1/C6H14O5/c7-1-5(9)3-11-4-6(10)2-8/h5-10H, 1-4H2 | GPLRAVKSCUXZTP-UHFFFAOYSA- | Tetrahydroxydipropyl Ether | DIGLYCERIN, .ALPHA., .ALPHA.'- | MFCD00049316 | Q27291013 | SY053494 | 3YC120743U | 4-Oxaheptane-1, 6, 7-tetrol | AKOS015915864 | 4-Oxaheptane-1

Especificaciones y pureza

≥80%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥80%(GC)

Nombres e identificadores

• Pubchem Sid: 504753620
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753620
• Sonrisas canónicas: C(C(COCC(CO)O)O)O
• IUPAC Name: 3-(2,3-dihydroxypropoxy)propane-1,2-diol
• InChIKey: GPLRAVKSCUXZTP-UHFFFAOYSA-N
• INCHI: 1S/C6H14O5/c7-1-5(9)3-11-4-6(10)2-8/h5-10H,1-4H2
• Isómeros SMILES: C(C(COCC(CO)O)O)O
• CAS alternativo: 59113-36-9
• Peso molecular: 166.17
• Reaxy-Rn: 1745235
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745235&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Glycerolipids
      • Subclass Monoradylglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Glycerolipids
• Subclass: Monoradylglycerols
• Intermediate Tree Nodes: Not available
• Direct Parent: Monoalkylglycerols
• Alternative Parents: 1-O-alkylglycerols Glycerol ethers Secondary alcohols Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monoalkylglycerol - 1-o-alkylglycerol - Glycerol ether - Secondary alcohol - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as monoalkylglycerols. These are glycerolipids containing exactly one aliphatic chain linked to the glycerol moiety. This chain is the only one linked to the glycerol.
• 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

• Punto de inflamación (°C): 240℃
• Peso molecular: 166.170 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 166.084 Da
• Monoisotopic Mass: 166.084 Da
• Topological Polar Surface Area: 90.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 77.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Jianle Zhou, Xiongliang He, Yanyan Ye, Zhuoxin Zhuang, Xingyu Tang, Junpeng Zhao, Yunjian Ma, Yonghua Wang.  (2025)  Design and Construct Cyclic Carbonate Functionalized Chitosan-Based Hydrogel Enabling Photodecarboxylase Immobilization with Enhanced Stability and Reusability.  Advanced Sustainable Systems,      [PMID:] [10.1002/adsu.202400862]