2-Propanol-d8 - ≥99 atom% D , CAS No.22739-76-0

CAS: 22739-76-0 Cat. No.: P123720 Summenformel: CD₃CD(OD)CD₃ Molekulargewicht: 68.14 Beilstein Registry Number: 1816231 EG-Nummer: 245-189-2

QUALITÄT & REINHEIT ≥99 atom% D

Synonyms

2-Propanol-d8|22739-76-0|(O,1,1,1,2,3,3,3-2H8)Propan-2-ol|1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane|iso-Propyl Alcohol-d8|EINECS 245-189-2|2-Propan-1,1,1,2,3,3,3-d7-ol-d|Isopropanol-d8|MFCD00044341|DTXSID30177279|2-Propanol-d8, 99.5 atom % D|AKOS01

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

2-Propanol-d8 (Isopropanol-d8) is a deuterated derivative of isopropanol. Generation and decay of correlated radical pairs (SCRP) during the reduction of acetone(D6) in 2-propanol(D8) have been studied by Fourier transform-electron paramagnetic resonance (FT-EPR) spectroscopy.It participates as solvent during the evaluation of triplet decay constants, triplet lifetime and photoreduction rate constants of benzophenone.

Spezifikationen

Synonyme

2-Propanol-d8 | 22739-76-0 | (O,1,1,1,2,3,3,3-2H8)Propan-2-ol | 1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane | iso-Propyl Alcohol-d8 | EINECS 245-189-2 | 2-Propan-1,1,1,2,3,3,3-d7-ol-d | Isopropanol-d8 | MFCD00044341 | DTXSID30177279 | 2-Propanol-d8, 99.5 atom % D | AKOS01

Spezifikationen & Reinheit

≥99 atom% D

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥99 atom% D

Namen und Kennungen

Pubchem Sid

504760843

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760843

Kanonisches Lächeln

CC(C)O

IUPAC Name

1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane

InChIKey

KFZMGEQAYNKOFK-PIODKIDGSA-N

INCHI

1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3,3D,4D

Isomere SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])O[2H]

WGK Deutschland

3

Molekulargewicht

68.14

Beilstein

1816231

Reaxy-Rn

635639

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635639&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Completely soluble in water.
• Empfindlichkeit: Moisture sensitive.
• Brechungsindex: 1.3728
• Flammpunkt (°F): 53.6 °F
• Flammpunkt (°C): 12 °C
• Siedepunkt (°C): 82°C
• Schmelzpunkt (°C): -89.5°C
• Molekulargewicht: 68.140 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 68.1077 Da
• Monoisotopic Mass: 68.1077 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 10.800
• Isotope Atom Count: 8
• 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