Neopentyl glycol diglycidyl ether(NGDE) - ≥40%(GC) , CAS No.17557-23-2

CAS: 17557-23-2 Cat. No.: N121958 Molecular Weight: 216.27 EC Number: 241-536-7

GRADE & PURITY ≥40%(GC)

Synonyms

Diglycidyloxyneopentane | 1,3-Bis(2,3-epoxypropoxy)-2,2-dimethylpropane | 2,2′-[(2,2-Dimethyl-1,3-propanediyl)bis(oxymethylene)]bis[oxirane]

Storage

Room temperature

Shipped In

Normal

Overview

Neopentyl glycol diglycidyl ether (NGDE) is a low-toxic epoxy molecule with two epoxy pendant groups at the end of the long chain. It has excellent reactivity, low viscosity, and cross-linking properties. It facilitates the resin with high strength and impact resistance. It is used as a precursor to synthesize hydrogels for drug delivery, dental materials, coating, and adhesives for medical devices and tissue engineering. It is also used as a solid matrix to fabricate light-emitting devices like OLEDs.

Specifications

Synonyms

Diglycidyloxyneopentane | 1, 3-Bis(2, 3-epoxypropoxy)-2, 2-dimethylpropane | 2, 2′-[(2, 2-Dimethyl-1, 3-propanediyl)bis(oxymethylene)]bis[oxirane]

Specifications & Purity

≥40%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥40%(GC)

Names and Identifiers

• Pubchem Sid: 488183081
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183081
• Canonical Smiles: CC(C)(COCC1CO1)COCC2CO2
• IUPAC Name: 2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane
• InChIKey: KUAUJXBLDYVELT-UHFFFAOYSA-N
• INCHI: 1S/C11H20O4/c1-11(2,7-12-3-9-5-14-9)8-13-4-10-6-15-10/h9-10H,3-8H2,1-2H3
• Isomeric SMILES: CC(C)(COCC1CO1)COCC2CO2
• WGK Germany: 1
• RTECS: TX3760000
• Molecular Weight: 216.27
• Reaxy-Rn: 8408266
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8408266&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Epoxides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Epoxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Epoxides
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as epoxides. These are compounds containing a cyclic ether with three ring atoms(one oxygen and two 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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water
• Sensitivity: Light sensitive.Hygroscopic.
• Refractive Index: 1.457
• Flash Point(°F): 190.4℉
• Flash Point(°C): 88°C
• Boil Point(°C): 103-107°C/1mmHg
• Molecular Weight: 216.270 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 216.136 Da
• Monoisotopic Mass: 216.136 Da
• Topological Polar Surface Area: 43.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 185.000
• 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

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