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

CAS: 34193-38-9 Cat. No.: B474143 Formula: C₄D₁₀O Peso molecolare: 84.18 Numero 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥99 atom% D

Condizioni di conservazione di stoccaggio

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

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99 atom% D

Nomi e identificatori

• Pubchem Sid: 504760965
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760965
• Sorrisi canonici: 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
• Isomeri SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O[2H]
• CAS alternativo: 71-36-3（Unlabeled）
• Peso molecolare: 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
    • 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: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Sensibilità: Hygroscopic;Air sensitive;Light sensitive
• Indice di rifrazione: n20/D 1.3956 (lit.)
• Punto di ebollizione (°C): 116-118 °C
• Peso molecolare: 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