tert-Butyl Glycidyl Ether - ≥96%(GC) , CAS No.7665-72-7

CAS: 7665-72-7 Cat. No.: T162025 Molecular Weight: 130.19 Beilstein Registry Number: 17(5)3,11 EC Number: 231-640-0 PubChem CID: 24314

GRADE & PURITY ≥96%(GC)

Synonyms

DTXCID104692 | AKOS009031522 | 2,3-EPOXYPROPYL-TERT-BUTYL ETHER | CCRIS 2632 | HMS3039K14 | Oxirane, 2-((1,1-dimethylethoxy)methyl)- | Propane, 1-tert-butoxy-2,3-epoxy- | Q27256462 | SMR001372027 | tert-Butyl glycidyl ether | 2-TRIMETHYLMETHOXYMETHYLOXIRA

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXCID104692 | AKOS009031522 | 2, 3-EPOXYPROPYL-TERT-BUTYL ETHER | CCRIS 2632 | HMS3039K14 | Oxirane, 2-((1, 1-dimethylethoxy)methyl)- | Propane, 1-tert-butoxy-2, 3-epoxy- | Q27256462 | SMR001372027 | tert-Butyl glycidyl ether | 2-TRIMETHYLMETHOXYMETHYLOXIRA

Specifications & Purity

≥96%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥96%(GC)

Names and Identifiers

• Pubchem Sid: 488182875
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182875
• Canonical Smiles: CC(C)(C)OCC1CO1
• IUPAC Name: 2-[(2-methylpropan-2-yl)oxymethyl]oxirane
• InChIKey: SFJRUJUEMVAZLM-UHFFFAOYSA-N
• INCHI: 1S/C7H14O2/c1-7(2,3)9-5-6-4-8-6/h6H,4-5H2,1-3H3
• Isomeric SMILES: CC(C)(C)OCC1CO1
• RTECS: RR0475000
• PubChem CID: 24314
• UN Number: 3271
• Packing Group: II
• Molecular Weight: 130.19
• Beilstein: 17(5)3,11
• Reaxy-Rn: 103483

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)

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Refractive Index: 1.417
• Flash Point(°F): 105.8 °F
• Flash Point(°C): 41°C(lit.)
• Boil Point(°C): 152 °C
• Molecular Weight: 130.180 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 130.099 Da
• Monoisotopic Mass: 130.099 Da
• Topological Polar Surface Area: 21.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 93.600
• 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

1. Wei Hui, Xiang Wang, Xiao-Ning Li, Hai-Jun Wang, Xue-Mei He, Xin-Yi Xu.  (2021)  Protic ionic liquids tailored by different cationic structures for efficient chemical fixation of diluted and waste CO2 into cyclic carbonates.  NEW JOURNAL OF CHEMISTRY,  45  (24): (10741-10748).  [PMID:] [10.1039/D1NJ00990G]