1,2-Butanediol - ≥98%(GC) , CAS No.584-03-2

CAS: 584-03-2 Cat. No.: B153217 Formula: C₄H₁₀O₂ Peso molecolare: 90.12 Beilstein Registry Number: 969169 Numero EC: 209-527-2

GRADE & PURITY ≥98%(GC)

Synonyms

1,2-(Dihydroxy)butane | alpha-Butylene glycol | DTXSID6040375 | RUN0H01QEU | 1,2-Butylene glycol | butane-1,2-diol | Butanediol, 1,2- | DL-1,2-Butanediol | NSC 24242 | 1,2-BUTANEDIOL | .alpha.-Butylene glycol | 1,2-Dihydroxybutane | alpha-Butyleneglycol |

Storage

Room temperature,Desiccated

Shipped In

Normale

Panoramica

l'1,2-butandiolo è stato utilizzato: . per studiare le misure dilatometriche dei volumi molari in eccesso e dei volumi molari parziali in eccesso per miscele binarie di N,N-dimetilformammide con 1,2-alcandioli . nella preparazione di 1,2-diolati di titanio mediante reazione con isopropossido di titanio (IV) o cloruro di titanio (IV)

Specifications

Sinonimi

1,2-(Dihydroxy)butane | alpha-Butylene glycol | DTXSID6040375 | RUN0H01QEU | 1,2-Butylene glycol | butane-1,2-diol | Butanediol, 1,2- | DL-1,2-Butanediol | NSC 24242 | 1,2-BUTANEDIOL | .alpha.-Butylene glycol | 1,2-Dihydroxybutane | alpha-Butyleneglycol |

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normale

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488181339

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181339

Sorrisi canonici

CCC(CO)O

IUPAC Name

butane-1,2-diol

InChIKey

BMRWNKZVCUKKSR-UHFFFAOYSA-N

INCHI

1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3

Isomeri SMILES

CCC(CO)O

WGK Germania

2

RTECS

EK0380000

CAS alternativo

26171-83-5

Peso molecolare

90.12

Beilstein

969169

Reaxy-Rn

969169

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969169&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Polyols
          • Level6 1,2-diols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Polyols
• Direct Parent: 1,2-diols
• Alternative Parents: Secondary alcohols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - 1,2-diol - Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
• External Descriptors: a small molecule

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

• Indice di rifrazione: 1.44
• Punto di infiammabilità (°F): 199.4 °F
• Punto di infiammabilità (°C): 93 °C
• Punto di ebollizione (°C): 191-194℃/747 mmHg (lit.)
• Peso molecolare: 90.120 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 90.0681 Da
• Monoisotopic Mass: 90.0681 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 28.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1