tert-Butyl methyl ether（MTBE） - anhydrous, ≥99.8% , CAS No.1634-04-4

CAS: 1634-04-4 Cat. No.: B119671 Formula: C₅H₁₂O Molecular Weight: 88.15 Beilstein Registry Number: 1730942 EC Number: 216-653-1

GRADE & PURITY Anhydrous Grade, ≥99.8%

Synonyms

MTBE

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

MTBE

Specifications & Purity

anhydrous, ≥99.8%

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

Anhydrous Grade

Purity

≥99.8%

Names and Identifiers

Pubchem Sid

504752661

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752661

Canonical Smiles

CC(C)(C)OC

IUPAC Name

2-methoxy-2-methylpropane

InChIKey

BZLVMXJERCGZMT-UHFFFAOYSA-N

INCHI

1S/C5H12O/c1-5(2,3)6-4/h1-4H3

Isomeric SMILES

CC(C)(C)OC

WGK Germany

1

RTECS

KN5250000

UN Number

2398

Packing Group

II

Molecular Weight

88.15

Beilstein

1730942

Reaxy-Rn

1730942

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730942&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• External Descriptors: ether

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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.3689
• Flash Point(°F): -18.4℉
• Flash Point(°C): -28℃
• Boil Point(°C): 55.2°C
• Melt Point(°C): -109°C
• Molecular Weight: 88.150 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 88.0888 Da
• Monoisotopic Mass: 88.0888 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 33.700
• 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