2,2-Dimethoxypropane(DMP) - ≥99% , CAS No.77-76-9

CAS: 77-76-9 Cat. No.: D105750 Formula: C₅H₁₂O₂ Molecular Weight: 104.15 Beilstein Registry Number: 635678 EC Number: 201-056-0

GRADE & PURITY ≥99%

Synonyms

DMP | 2,2-dimethoxypropan | Propane,2-dimethoxy- | F0001-1976 | NSC62085 | NSC-62085 | 2,2-Dimethoxypropane, reagent grade, 98% | 2,2-dimethyloxypropane | DTXSID7026441 | NSC 62085 | UNII-66P41R0030 | CAS-77-76-9 | NCGC00258181-01 | InChI=1/C5H12O2/c1-5(2

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

Reagent for the preparation of 1,2-diols as acetonides.

Specifications

Synonyms

DMP | 2,2-dimethoxypropan | Propane,2-dimethoxy- | F0001-1976 | NSC62085 | NSC-62085 | 2,2-Dimethoxypropane, reagent grade, 98% | 2,2-dimethyloxypropane | DTXSID7026441 | NSC 62085 | UNII-66P41R0030 | CAS-77-76-9 | NCGC00258181-01 | InChI=1/C5H12O2/c1-5(2

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

FedEx DG Service

Purity

≥99%

Names and Identifiers

Pubchem Sid

504751104

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751104

Canonical Smiles

CC(C)(OC)OC

IUPAC Name

2,2-dimethoxypropane

InChIKey

HEWZVZIVELJPQZ-UHFFFAOYSA-N

INCHI

1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3

Isomeric SMILES

CC(C)(OC)OC

WGK Germany

2

UN Number

1993

Packing Group

II

Molecular Weight

104.15

Beilstein

635678

Reaxy-Rn

635678

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635678&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketal - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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: Soluble in benzene, carbon tetrachloride, ethyl ether and n-butane, methanol. Moderately soluble in water.
• Sensitivity: Moisture sensitive
• x_refractive_index: 1.378
• x_flash_point_drop_fahrenheit: 14 °F
• x_flash_point_drop_centigrade: -11℃
• x_boil_point_char: 82°C
• x_melt_point_char: -47°C
• Molecular Weight: 104.150 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 104.084 Da
• Monoisotopic Mass: 104.084 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 44.000
• 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