Decane-d₂₂ - ≥98%,≥98 atom% D , CAS No.16416-29-8

CAS: 16416-29-8 Cat. No.: D474129 Formula: CD₃(CD₂)₈CD₃ Molecular Weight: 164.42 EC Number: 685-464-8

GRADE & PURITY ≥98%,≥98 atom% D

Synonyms

Decane-d22 | DTXSID60369766 | J-010116 | D98244 | N-DECANE (D22) | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosadeuteriodecane | AKOS015913119 | MFCD00144865 | n-decane-d22

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Decane-d22 | DTXSID60369766 | J-010116 | D98244 | N-DECANE (D22) | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosadeuteriodecane | AKOS015913119 | MFCD00144865 | n-decane-d22

Specifications & Purity

≥98%,≥98 atom% D

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%,≥98 atom% D

Names and Identifiers

• Canonical Smiles: CCCCCCCCCC
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosadeuteriodecane
• InChIKey: DIOQZVSQGTUSAI-DNYWURFXSA-N
• INCHI: 1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
• Alternate CAS: 124-18-5(unlabelled)
• UN Number: 2247
• Molecular Weight: 164.42
• Reaxy-Rn: 1696981
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696981&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• 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: Heat sensitive
• Refractive Index: n20/D 1.407 (lit.)
• Flash Point(°F): 114.8 °F - closed cup
• Flash Point(°C): 46.00 °C - closed cup
• Boil Point(°C): 174℃ (lit.)
• Melt Point(°C): −30℃ (lit.)
• Molecular Weight: 164.420 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 164.31 Da
• Monoisotopic Mass: 164.31 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 40.000
• Isotope Atom Count: 22
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). This product is isotopically enriched to ≥98 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 16416-29-8, the molecular formula is C10H22, and the molecular weight is 164.42 g/mol. InChIKey DIOQZVSQGTUSAI-DNYWURFXSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.