Glycerol 1,2-Carbonate - ≥90%(GC) , CAS No.931-40-8

CAS: 931-40-8 Cat. No.: G156799 Molecular Weight: 118.09 Beilstein Registry Number: 19(3/4)2491 EC Number: 213-235-0

GRADE & PURITY ≥90%(GC)

Synonyms

DTXSID90862477 | JFMGYULNQJPJCY-UHFFFAOYSA-N | MACKADERM GC | SCHEMBL47782 | RACEMIC GLYCEROL 1,2-CARBONATE | AKOS024319086 | AI3-22904 | EINECS 213-235-0 | hydroxymethyl dioxolanone | MFCD00085561 | C15K4UUJ1E | 4-(Hydroxymethyl)-1,3-dioxolan-2-one | AS-

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID90862477 | JFMGYULNQJPJCY-UHFFFAOYSA-N | MACKADERM GC | SCHEMBL47782 | RACEMIC GLYCEROL 1, 2-CARBONATE | AKOS024319086 | AI3-22904 | EINECS 213-235-0 | hydroxymethyl dioxolanone | MFCD00085561 | C15K4UUJ1E | 4-(Hydroxymethyl)-1, 3-dioxolan-2-one | AS-

Specifications & Purity

≥90%(GC)

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥90%(GC)

Names and Identifiers

• Pubchem Sid: 488187091
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187091
• Canonical Smiles: C1C(OC(=O)O1)CO
• IUPAC Name: 4-(hydroxymethyl)-1,3-dioxolan-2-one
• InChIKey: JFMGYULNQJPJCY-UHFFFAOYSA-N
• INCHI: 1S/C4H6O4/c5-1-3-2-7-4(6)8-3/h3,5H,1-2H2
• Isomeric SMILES: C1C(OC(=O)O1)CO
• WGK Germany: 1
• Molecular Weight: 118.09
• Beilstein: 19(3/4)2491
• Reaxy-Rn: 111158
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111158&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives
      • Subclass Carbonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Carbonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbonic acid diesters
• Alternative Parents: 1,3-dioxolanes Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Carbonic acid diester - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as carbonic acid diesters. These are compounds comprising the carbonic acid diester functional group.
• 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

Chemical and Physical Properties

• Solubility: souble in water
• Refractive Index: 1.46
• Flash Point(°F): 413.6 °F
• Flash Point(°C): 212 °C
• Boil Point(°C): 160°C/0.8mmHg
• Molecular Weight: 118.090 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 118.027 Da
• Monoisotopic Mass: 118.027 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 100.000
• 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

References

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