1-Butanol-d₁₀ - ≥99 atom% D , CAS No.34193-38-9

CAS: 34193-38-9 Cat. No.: B474143 Fórmula: C₄D₁₀O Peso molecular: 84.18 Número EC: 686-134-6

GRADE & PURITY ≥99 atom% D

Synonyms

1-Butanol-d10 | DTXSID00369765 | n-Butyl Alcohol-d10 | 1-Butanol-d10, 99 atom % D | (?H?)butan-1-(?H)ol | n-Butanol-D10 | MFCD00002966 | 1,1,1,2,2,3,3,4,4-nonadeuterio-4-deuteriooxybutane | EPA Method 541 UCMR 4 Surrogate 1-butanol D10 1000 microg/mL in M

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Product Application:

Isotope labelled 1-Butanol， a common chemical reagent used in biodiesel production. Also it has been used in the study the polarization of vapor-deposited 1-butanol films as well as in the preparation of bioavailable CB1 antagonists. Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.

Specifications

Sinónimos

1-Butanol-d10 | DTXSID00369765 | n-Butyl Alcohol-d10 | 1-Butanol-d10, 99 atom % D | (?H?)butan-1-(?H)ol | n-Butanol-D10 | MFCD00002966 | 1,1,1,2,2,3,3,4,4-nonadeuterio-4-deuteriooxybutane | EPA Method 541 UCMR 4 Surrogate 1-butanol D10 1000 microg/mL in M

Especificaciones y pureza

≥99 atom% D

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99 atom% D

Nombres e identificadores

Pubchem Sid

504760965

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760965

Sonrisas canónicas

CCCCO

IUPAC Name

1,1,1,2,2,3,3,4,4-nonadeuterio-4-deuteriooxybutane

InChIKey

LRHPLDYGYMQRHN-NWURLDAXSA-N

INCHI

1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i1D3,2D2,3D2,4D2,5D

Isómeros SMILES

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

CAS alternativo

71-36-3（Unlabeled）

Peso molecular

84.18

Reaxy-Rn

969148

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969148&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Sensibilidad: Hygroscopic;Air sensitive;Light sensitive
• Índice de refracción: n20/D 1.3956 (lit.)
• Punto de ebullición (°C): 116-118 °C
• Peso molecular: 84.180 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 84.1359 Da
• Monoisotopic Mass: 84.1359 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 13.100
• Isotope Atom Count: 10
• 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