2-Propanol-d₈ - ≥99.5 atom% D , CAS No.22739-76-0

CAS: 22739-76-0 Cat. No.: P432348 Formule: CD₃CD(OD)CD₃ Poids moléculaire: 68.14 Beilstein Registry Number: 1816231 Numéro CE: 245-189-2

GRADE & PURITY ≥99.5 atom% D

Synonyms

AKOS015903465 | D99058 | EINECS 245-189-2 | 1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane | 2-Propan-1,1,1,2,3,3,3-d7-ol-d | Propan-1,1,1,2,3,3,3-d7-2-ol-d | (O,1,1,1,2,3,3,3-2H8)Propan-2-ol | J-014836 | A935653 | MFCD00044341 | 2-Propanol-d8 | 2-Propa

Storage

Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

2-Propanol-d 8 (Isopropanol-d 8 ) is a deuterated derivative of isopropanol. Generation and decay of correlated radical pairs (SCRP) during the reduction of acetone(D 6 ) in 2-propanol(D 8 ) 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.

Application

2-Propanol-d 8 may be used in the preparation of 2-iodopropane-d 7 .

Specifications

Synonymes

AKOS015903465 | D99058 | EINECS 245-189-2 | 1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane | 2-Propan-1,1,1,2,3,3,3-d7-ol-d | Propan-1,1,1,2,3,3,3-d7-2-ol-d | (O,1,1,1,2,3,3,3-2H8)Propan-2-ol | J-014836 | A935653 | MFCD00044341 | 2-Propanol-d8 | 2-Propa

Spécifications et pureté

≥99.5 atom% D

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥99.5 atom% D

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])O[2H]
• WGK Allemagne: 3
• Poids moléculaire: 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
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: heat sensitive
• Indice de réfraction: 1.3728
• Point d'éclair (°F): 53.6 °F
• Point d'éclair (°C): 12 °C
• Point d'ébullition (°C): 82°C
• Point de fusion (°C): -89.5°C
• Poids moléculaire: 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

Références

1. Wang Tianjiao, Xin Yu, Chen Bingfeng, Zhang Bin, Luan Sen, Dong Minghua, Wu Yuxuan, Cheng Xiaomeng, Liu Ye, Liu Huizhen, Han Buxing.  (2024)  Selective hydrodeoxygenation of α, β-unsaturated carbonyl compounds to alkenes.  Nature Communications,  15  (1): (1-10).  [PMID:38461211] [10.1038/s41467-024-46383-9]