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

CAS: 73522-17-5 Cat. No.: S161003 Formule: C₄H₁₀O₂ Poids moléculaire: 90.12 Numéro 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

Synonymes

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 |

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 504764443
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764443
• Sourires canoniques: 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
• Isomères SMILES: CC[C@@H](CO)O
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.44
• Rotation spécifique [α]: -17° (C=3,EtOH)
• Point d'éclair (°C): 93 °C
• Point d'ébullition (°C): 55 °C/0.7 mmHg
• Poids moléculaire: 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

Foire aux questions

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.