1-Propanol-d₈ - ≥98 atom% D,≥99%, used for Environmental monitoring applications - Quality control reference standards - Advanced materials research and development - Analytical method development various applications , CAS No.61393-63-3

CAS: 61393-63-3 Cat. No.: P472030 Formula: C₃D₈O Molecular Weight: 68.14 EC Number: 685-793-7

GRADE & PURITY ≥98 atom% D,≥99%

Synonyms

D98824 | Deuterated propyl alcohol | AKOS015912469 | (~2~H_7_)Propan-1-(~2~H)ol | DTXSID30583977 | 1-Propanol-d8, 98 atom % D | 1,1,1,2,2,3,3-heptadeuterio-3-deuteriooxypropane | 1-Propanol-d8 | Deuterated Propanol

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

1-Propanol-d8 98 atom % D is a high-purity isotope product with a unique chemical profile that belongs to the class of isotopes.

Specifications

Synonyms

D98824 | Deuterated propyl alcohol | AKOS015912469 | (~2~H_7_)Propan-1-(~2~H)ol | DTXSID30583977 | 1-Propanol-d8, 98 atom % D | 1,1,1,2,2,3,3-heptadeuterio-3-deuteriooxypropane | 1-Propanol-d8 | Deuterated Propanol

Specifications & Purity

≥98 atom% D,≥99%

Application

Environmental monitoring applications - Quality control reference standards - Advanced materials research and development - Analytical method development

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98 atom% D,≥99%

Names and Identifiers

• Canonical Smiles: CCCO
• IUPAC Name: 1,1,1,2,2,3,3-heptadeuterio-3-deuteriooxypropane
• InChIKey: BDERNNFJNOPAEC-RIZALVEQSA-N
• INCHI: 1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3/i1D3,2D2,3D2,4D
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])O[2H]
• Alternate CAS: 71-23-8（unlabelled）
• UN Number: 1274
• Molecular Weight: 68.14

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (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

Chemical and Physical Properties

• Sensitivity: Light & Moisture Sensitive
• Refractive Index: n20/D 1.384 (lit.)
• Flash Point(°F): 71.6 °F - closed cup
• Flash Point(°C): 22 °C - closed cup
• Boil Point(°C): 97℃ (lit.)
• Melt Point(°C): −127℃ (lit.)
• Molecular Weight: 68.140 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• 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: 7.200
• 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