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  • 3031-66-1 Structure
  • Basic information

    1. Product Name: 3-Hexyn-2,5-diol
    2. Synonyms: BIS(1-HYDROXYETHYL)ACETYLENE;3-HEXYNE-2,5-DIOL, DL AND MESO;3-HEXYNE-2,5-DIOL;3-hexyn-2,5-diol;Hexyne-3-diol-2,5;3-hexyne-2,5-diol, mixture of (+/-)-and meso;hex-3-yne-2,5-diol;3-HEXYNE-2,5-DIOL, 97%, MIXTURE OF (+/-) -AND MESO ISOMERS
    3. CAS NO:3031-66-1
    4. Molecular Formula: C6H10O2
    5. Molecular Weight: 114.14
    6. EINECS: 221-209-5
    7. Product Categories: Acetylenes;Acetylenic Alcohols & Their Derivatives;Alcohols;Monomers;Polymer Science
    8. Mol File: 3031-66-1.mol
    9. Article Data: 3
  • Chemical Properties

    1. Melting Point: 42 °C(lit.)
    2. Boiling Point: 121 °C15 mm Hg(lit.)
    3. Flash Point: >230 °F
    4. Appearance: light yellow liquid
    5. Density: 1.009 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 0.0215mmHg at 25°C
    7. Refractive Index: n20/D 1.473(lit.)
    8. Storage Temp.: 2-8°C
    9. Solubility: Chloroform (Slightly), Methanol (Slightly)
    10. PKA: 12.80±0.20(Predicted)
    11. BRN: 1720667
    12. CAS DataBase Reference: 3-Hexyn-2,5-diol(CAS DataBase Reference)
    13. NIST Chemistry Reference: 3-Hexyn-2,5-diol(3031-66-1)
    14. EPA Substance Registry System: 3-Hexyn-2,5-diol(3031-66-1)
  • Safety Data

    1. Hazard Codes: T
    2. Statements: 25-36
    3. Safety Statements: 26-36/37/39-45
    4. RIDADR: UN 2811 6.1/PG 3
    5. WGK Germany: 2
    6. RTECS: MR0175000
    7. HazardClass: 6.1(b)
    8. PackingGroup: III
    9. Hazardous Substances Data: 3031-66-1(Hazardous Substances Data)

3031-66-1 Usage

Description

3-Hexyn-2,5-diol is an organic compound characterized by the presence of a hexyn-2,5-diol moiety, which consists of a six-carbon chain with a triple bond and two hydroxyl groups at the terminal positions. This unique structure endows it with versatile chemical properties, making it a valuable intermediate in various synthetic applications.

Uses

Used in Pharmaceutical Industry:
3-Hexyn-2,5-diol is used as a synthetic intermediate for the production of hyperbranched poly([1,2,3]-triazoles. These hyperbranched polymers have potential applications in drug delivery systems, offering enhanced solubility, stability, and controlled release properties, which can improve the therapeutic efficacy of various pharmaceutical agents.
Used in Chemical Synthesis:
3-Hexyn-2,5-diol is used as a versatile building block in the synthesis of pyrazoles and thiopyrazoles. These heterocyclic compounds are known for their diverse range of biological activities, including antimicrobial, anticancer, and anti-inflammatory properties. By incorporating 3-Hexyn-2,5-diol into their structures, chemists can explore new derivatives with improved pharmacological profiles and potential applications in various therapeutic areas.

Flammability and Explosibility

Nonflammable

Check Digit Verification of cas no

The CAS Registry Mumber 3031-66-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,0,3 and 1 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 3031-66:
(6*3)+(5*0)+(4*3)+(3*1)+(2*6)+(1*6)=51
51 % 10 = 1
So 3031-66-1 is a valid CAS Registry Number.
InChI:InChI=1/C6H10O2/c1-5(7)3-4-6(2)8/h5-8H,1-2H3/t5-,6-/m1/s1

3031-66-1 Well-known Company Product Price

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  • Alfa Aesar

  • (B20653)  3-Hexyne-2,5-diol, (±) + meso, 97%   

  • 3031-66-1

  • 100g

  • 572.0CNY

  • Detail
  • Alfa Aesar

  • (B20653)  3-Hexyne-2,5-diol, (±) + meso, 97%   

  • 3031-66-1

  • 500g

  • 1485.0CNY

  • Detail

3031-66-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Hexyn-2,5-diol

1.2 Other means of identification

Product number -
Other names 3-HEXYNE-2,5-DIOL,DL AND MESO

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:3031-66-1 SDS

3031-66-1Relevant articles and documents

Polymer pyrolysis and oxidation studies in a continuous feed and flow reactor: Cellulose and polystyrene

Park, Byung-Ik,Bozzelli, Joseph W.,Booty, Michael R.,Bernhard, Mary J.,Mesuere, Karel,Pettigrew, Charles A.,Shi, Ji-Chun,Simonich, Staci L.

, p. 2584 - 2592 (2007/10/03)

A dual-zone, continuous feed tubular reactor is developed to assess the potential for formation of products from incomplete combustion in thermal oxidation of common polymers. Solid polymer (cellulose or polystyrene) is fed continuously into a volatilization oven where it fragments and vaporizes. The gas-phase polymer fragments flow directly into a second, main flow reactor to undergo further reaction. Temperatures in the main flow reactor are varied independently to observe conditions needed to convert the initial polymer fragments to CO2 and H2O. Combustion products are monitored at main reactor temperatures from 400 to 850 °C and at 2.0-s total residence time with four on-line GC/FIDs; polymer reaction products and intermediates are further identified by GC/MS analysis. Analysis of polymer decomposition fragments at 400 °C encompasses complex oxygenated and aromatic hydrocarbon species, which range from high-molecular-weight intermediates of ca. 300 amu, through intermediate mass ranges down to C1 and C2 hydrocarbons, CO, and CO2. Approximately 41 of these species are positively identified for cellulose and 52 for polystyrene. Products from thermal oxidation of cellulose and polystyrene are shown to achieve complete combustion to CO2 and H2O at a main reactor temperature of 850 °C under fuel-lean equivalence ratio and 2.0-s reaction time. A dual-zone, continuous feed tubular reactor is developed to assess the potential for formation of products from incomplete combustion in thermal oxidation of common polymers. Solid polymer (cellulose or polystyrene) is fed continuously into a volatilization oven where it fragments and vaporizes. The gas-phase polymer fragments flow directly into a second, main flow reactor to undergo further reaction. Temperatures in the main flow reactor are varied independently to observe conditions needed to convert the initial polymer fragments to CO2 and H2O. Combustion products are monitored at main reactor temperatures from 400 to 850°C and at 2.0-s total residence time with four on-line GC/FIDs; polymer reaction products and intermediates are further identified by GC/MS analysis. Analysis of polymer decomposition fragments at 400°C encompasses complex oxygenated and aromatic hydrocarbon species, which range from high-molecular-weight intermediates of ca. 300 amu, through intermediate mass ranges down to C1 and C2 hydrocarbons, CO, and CO2. Approximately 41 of these species are positively identified for cellulose and 52 for polystyrene. Products from thermal oxidation of cellulose and polystyrene are shown to achieve complete combustion to CO2 and H2O at a main reactor temperature of 850°C under fuel-lean equivalence ratio and 2.0-s reaction time.

A New Route to 1,3-Dienes: TMSI Elimination of 2-Ene-1,4-diols

Hill, Richard K.,Pendalwar, Shekhar L.,Kielbasinski, Karen,Baevsky, Matthew F.,Nugara, Peter N.

, p. 1877 - 1884 (2007/10/02)

Iodotrimethylsilane effects conversion of acyclic bis-secondary 2-ene-1,4-diols to 1,3-dienes in moderate yield.The reaction with 3-hexene-2,5-diol favors anti elimination but is largely nonstereospecific.

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