1-Hexan-d₁₃-ol - ≥98 atom% D,≥99% , CAS No.204244-84-8

CAS: 204244-84-8 Cat. No.: H464689 Summenformel: CD₃(CD₂)₄CD₂OH Molekulargewicht: 115.25 EG-Nummer: 693-221-2

GRADE & PURITY ≥98 atom% D,≥99%

Synonyms

D98840 | n-hexyl-d13 alcohol | (~2~H_13_)Hexan-1-ol | 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexan-1-ol | 1-Hexanol-d13 | 1-Hexan-1,1,2,2,3,3,4,4,5,5,6,6,6-d13-ol(9CI) | (H)hexan-1-ol | d13-1-hexanol | J-013300 | SCHEMBL1330602 | DTXSID30583730 | HY-W03

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyme

D98840 | n-hexyl-d13 alcohol | (~2~H_13_)Hexan-1-ol | 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexan-1-ol | 1-Hexanol-d13 | 1-Hexan-1,1,2,2,3,3,4,4,5,5,6,6,6-d13-ol(9CI) | (H)hexan-1-ol | d13-1-hexanol | J-013300 | SCHEMBL1330602 | DTXSID30583730 | HY-W03

Spezifikationen & Reinheit

≥98 atom% D,≥99%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98 atom% D,≥99%

Namen und Kennungen

• Kanonisches Lächeln: CCCCCCO
• IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexan-1-ol
• InChIKey: ZSIAUFGUXNUGDI-UTBWLCBWSA-N
• INCHI: 1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2
• Isomere SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O
• Alternative CAS-Nummer: 111-27-3(unlabelled)
• UN-Nummer: 2282
• Molekulargewicht: 115.25
• Reaxy-Rn: 969167
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969167&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive；Moisture sensitive
• Brechungsindex: n20/D 1.414 (lit.)
• Flammpunkt (°F): 138.2 °F - closed cup
• Flammpunkt (°C): 59.00 °C - closed cup
• Siedepunkt (°C): 156.5℃ (lit.)
• Schmelzpunkt (°C): −52℃ (lit.)
• Molekulargewicht: 115.250 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 115.186 Da
• Monoisotopic Mass: 115.186 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 27.400
• Isotope Atom Count: 13
• 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