2,4-HEXADIYNE-1,6-DIOL

Name: 2,4-HEXADIYNE-1,6-DIOL
Brand: Zhengzhou Whchem

CAS：3031-68-3 | 2,4-HEXADIYNE-1,6-DIOL | Whchem

CAS: 3031-68-3

Other Names

2,4-Hexadiynediol;Diacetylene glycol;TIMTEC-BB SBB008793;1,6-DIHYDROXY-2,4-HEXADIYNE;2,4-HEXADIENE-1,6-DIOL;2,4-HEXADIYN-1,6-DIOL;2,4-HEXADIYNE-1,6-DIOL;hexa-2,4-diyne-1,6-diol

Molecular Formula

Purity

>97%

Molecular Weight

110.11 g/mol

EINECS

221-210-0

Structure Available Verified Product

English Name	2,4-HEXADIYNE-1,6-DIOL
English Synonyms	2,4-Hexadiynediol;Diacetylene glycol;TIMTEC-BB SBB008793;1,6-DIHYDROXY-2,4-HEXADIYNE;2,4-HEXADIENE-1,6-DIOL;2,4-HEXADIYN-1,6-DIOL;2,4-HEXADIYNE-1,6-DIOL;hexa-2,4-diyne-1,6-diol
CAS Number	3031-68-3
Molecular Formula	C6H6O2
Molecular Weight	110.11 g/mol
EINECS Number	221-210-0
Related Categories	Acetylenes;Acetylenic Alcohols & Their Derivatives;Diyne Compounds (LB Films);Functional Materials;LB Films
Mol File	Download MOL File
Structure Image

Property	Value
Melting point	113-114 °C (lit.)
Boiling point	292.1±25.0 °C (Predicted)
Density	1.234±0.06 g/cm³ (Predicted)
Storage condition	2-8°C
Solubility	Soluble in methanol
Form	Powder crystals
Acidity Coefficient (pKa)	12.26±0.10 (Predicted)
Color	White to pale yellow to light orange
BRN	773791
InChI	InChI=1S/C6H6O2/c7-5-3-1-2-4-6-8/h7-8H,5-6H2
InChIKey	JXMQYKBAZRDVTC-UHFFFAOYSA-N
SMILES	OCC#CC#CCO

2,4-HEXADIYNE-1,6-DIOL (CAS 3031-68-3) is a high-purity fine chemical intermediate widely used in organic synthesis, pharmaceutical R&D, agrochemical manufacturing and specialty chemical applications.

As a professional supplier, Zhengzhou Whchem provides 2,4-HEXADIYNE-1,6-DIOL with >97% purity, COA, structure confirmation and flexible packaging, available from research quantities to commercial scale with global shipping.

Category	Description (English Translation)
Uses & Synthesis Methods 2,4-Hexadiyn-1,6-diol	Uses & Synthesis Methods Application: 2,4-Hexadiyn-1,6-diol is a 1,3-diyne derivative. 1,3-Diyne derivatives are important structural units in many natural products, luminescent materials, and supramolecular compounds. Preparation: Reaction substrate propargyl alcohol (0.112 g, 2.0 mmol), triethylamine (0.202 g, 2.0 mmol), and CuAl-LDH catalyst (0.29 g) were placed in a glass flask, and 10 mL of toluene was added as an organic solvent. The reaction mixture was stirred at room temperature and atmospheric pressure for 16 hours. After the reaction was stopped, the mixed solution in the flask was filtered. The filtered solid was washed with toluene 2-3 times, then dried at 40-150°C for 2-20 hours and directly used for the next catalytic cycle. The filtrate and the combined washing solvent were concentrated using a rotary evaporator, then separated by silica gel column chromatography using n-hexane/ethyl acetate as the eluent to obtain 2,4-hexadiyn-1,6-diol in 86% yield.

Category

Description (English Translation)

Uses & Synthesis Methods

2,4-Hexadiyn-1,6-diol

Uses & Synthesis Methods

Application: 2,4-Hexadiyn-1,6-diol is a 1,3-diyne derivative. 1,3-Diyne derivatives are important structural units in many natural products, luminescent materials, and supramolecular compounds.

Preparation: Reaction substrate propargyl alcohol (0.112 g, 2.0 mmol), triethylamine (0.202 g, 2.0 mmol), and CuAl-LDH catalyst (0.29 g) were placed in a glass flask, and 10 mL of toluene was added as an organic solvent. The reaction mixture was stirred at room temperature and atmospheric pressure for 16 hours. After the reaction was stopped, the mixed solution in the flask was filtered. The filtered solid was washed with toluene 2-3 times, then dried at 40-150°C for 2-20 hours and directly used for the next catalytic cycle. The filtrate and the combined washing solvent were concentrated using a rotary evaporator, then separated by silica gel column chromatography using n-hexane/ethyl acetate as the eluent to obtain 2,4-hexadiyn-1,6-diol in 86% yield.

Category	Value
Hazard Symbol	F
Hazard Codes (R Phrases)	11
Safety Codes (S Phrases)	16-22-24/25
UN Number	UN 1325 4.1/PG 2
WGK Germany	3
F (Hazard Index)	4.5-8
Hazard Class	4.1
Packing Group	III
HS Code (Customs)	29052900
Storage Category	4.1B - Flammable solid hazardous substances
Hazard Classification	Flammable Solid Category 1

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2,4-HEXADIYNE-1,6-DIOL

CAS：3031-68-3 | 2,4-HEXADIYNE-1,6-DIOL | Whchem

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2,4-HEXADIYNE-1,6-DIOL

CAS：3031-68-3 | 2,4-HEXADIYNE-1,6-DIOL | Whchem

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