(S)-1,2-Butanediol - ≥98%(GC) , CAS No.73522-17-5

CAS: 73522-17-5 Cat. No.: S161003 Fórmula: C₄H₁₀O₂ Peso molecular: 90.12 Número CE: 805-782-4

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS006313506 | BMRWNKZVCUKKSR-BYPYZUCNSA-N | EN300-7241643 | 1,2-Butanediol, (2S)- | CHEBI:52686 | I5Q | AS-56965 | (S)-1,2-Dihydroxybutane | Q27123550 | (2S)-butane-1,2-diol | (S)-1,2-BUTANEDIOL | (S)-1,2-Butylene Glycol | A9478 | MFCD09953764 | B4119 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS006313506 | BMRWNKZVCUKKSR-BYPYZUCNSA-N | EN300-7241643 | 1,2-Butanediol, (2S)- | CHEBI:52686 | I5Q | AS-56965 | (S)-1,2-Dihydroxybutane | Q27123550 | (2S)-butane-1,2-diol | (S)-1,2-BUTANEDIOL | (S)-1,2-Butylene Glycol | A9478 | MFCD09953764 | B4119 |

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 504764443
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764443
• Sorrisos canónicos: CCC(CO)O
• IUPAC Name: (2S)-butane-1,2-diol
• InChIKey: BMRWNKZVCUKKSR-BYPYZUCNSA-N
• INCHI: 1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
• SMILES isoméricas: CC[C@@H](CO)O
• Peso molecular: 90.12
• 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
• Descrição: 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: butane-1,2-diol

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

Propriedades químicas e físicas

• Índice de refração: 1.44
• Rotação específica [α]: -17° (C=3,EtOH)
• Ponto de inflamação (°C): 93 °C
• Ponto de ebulição (°C): 55 °C/0.7 mmHg
• Peso molecular: 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: 1
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 73522-17-5, the molecular formula is C4H10O2, and the molecular weight is 90.12 g/mol. InChIKey BMRWNKZVCUKKSR-BYPYZUCNSA-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.