(±)-1,3-Butanediol - Anhydrous Grade, ≥99% , CAS No.107-88-0

CAS: 107-88-0 Cat. No.: B119672 Formule: C₄H₁₀O₂ Poids moléculaire: 90.12 Beilstein Registry Number: 1731276 Numéro CE: 203-529-7

QUALITÉ & PURETÉ Anhydrous Grade, ≥99%

Synonyms

1,3-BUTYLENE GLYCOL [FCC] | ShiZhenTaiYiTang Moxibustion Patch | .beta.-Butylene glycol | 1,3-Butylene glycol | AI3-11077 | F8880-3340 | FT-0605126 | (R)-1,3-butanediol | 1,3-butane diol | 1,3-Butanodiol | AKOS000119043 | B0679 | BUTANEDIOL,1,3- | BUTYLEN

Storage

Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

A building block for proteomics research

application：

(±)-1,3-Butanediol may be used as a solvent in the preparation of 6-methoxy-2-benzoxazolinone via condensation reaction between 2-hydroxy-4-methoxyphenyJarnmonium chloride and urea. It can also react with carboxylic acids to form the corresponding chlorohydrin esters in the presence of chlorotrimethylsilane.

Spécifications

Synonymes

1,3-BUTYLENE GLYCOL [FCC] | ShiZhenTaiYiTang Moxibustion Patch | .beta.-Butylene glycol | 1,3-Butylene glycol | AI3-11077 | F8880-3340 | FT-0605126 | (R)-1,3-butanediol | 1,3-butane diol | 1,3-Butanodiol | AKOS000119043 | B0679 | BUTANEDIOL,1,3- | BUTYLEN

Spécifications et pureté

Anhydrous Grade, ≥99%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Grade

Anhydrous Grade

Pureté

≥99%

Noms et identifiants

Pubchem Sid

528753707

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528753707

Sourires canoniques

CC(CCO)O

IUPAC Name

butane-1,3-diol

InChIKey

PUPZLCDOIYMWBV-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

CC(CCO)O

WGK Allemagne

1

RTECS

EK0440000

Poids moléculaire

90.12

Beilstein

1731276

Reaxy-Rn

1718945

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718945&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: Secondary alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• External Descriptors: a glycol

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

• Solubilité: Solubility in water: soluble Solubility in other solvents: soluble in acetone, methyl ethyl ketone, ethanol slightly soluble in ether practically insoluble in aliphatic hydrocarbons, benzene, toluene and CCl4.
• Sensibilité: Moisture sensitive
• Indice de réfraction: 1.44
• Point d'éclair (°F): 251.6℉
• Point d'éclair (°C): 122℃
• Point d'ébullition (°C): 207°C
• Point de fusion (°C): -50℃
• Poids moléculaire: 90.120 g/mol
• XLogP3: -0.400
• 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