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1,1,4,4-Tetramethyl-1,4-butanediol

2,5-Dimethyl-2,5-hexanediol

CAS: 110-03-2

Molecular Formula: C8H18O2

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  5. 1,1,4,4-Tetramethyl-1,4-butanediol

1,1,4,4-Tetramethyl-1,4-butanediol - Names and Identifiers

Name 2,5-Dimethyl-2,5-hexanediol
Synonyms DiMethyl-2,5-hexan
2,5-Dimethyl-2,5-hex
2,5-dimethyl-5-hexanediol
2,5-Dimethyl-2,5-Hexandiol
2,5-dimethylhexane-2,5-diol
5-Hexanediol,2,5-dimethyl-2
2,5-Dimethyl-2,5-hexanediol
1,1,4,4-Tetramethyl-1,4-butanediol
CAS 110-03-2
EINECS 203-731-5
InChI InChI=1/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3
InChIKey ZWNMRZQYWRLGMM-UHFFFAOYSA-N

1,1,4,4-Tetramethyl-1,4-butanediol - Physico-chemical Properties

Molecular FormulaC8H18O2
Molar Mass146.23
Density0,898 g/cm3
Melting Point86-90 °C (lit.)
Boling Point214-215 °C (lit.)
Flash Point126 °C
Water SolubilitySOLUBLE
Solubility Soluble in water, acetone, ethanol, insoluble in benzene, carbon tetrachloride and kerosene, flammable.
Vapor Presure0.18Pa at 20℃
AppearanceWhite crystal
ColorWhite
BRN1361437
pKa15.07±0.29(Predicted)
Storage ConditionKeep in dark place,Sealed in dry,Room Temperature
Refractive Index1.4429 (estimate)
MDLMFCD00004473
Physical and Chemical PropertiesMelting point 92 ℃
boiling point 214 ℃
relative density 0.898g/cm3
soluble in water, acetone, ethanol, benzene, chloroform, insoluble in carbon tetrachloride and kerosene.
UseMainly used for the preparation of pesticide pyrethroid insecticides, spices, artificial musk, polyethylene plastic crosslinking agent

1,1,4,4-Tetramethyl-1,4-butanediol - Risk and Safety

Safety DescriptionS22 - Do not breathe dust.
S24/25 - Avoid contact with skin and eyes.
WGK Germany3
TSCAYes
HS Code29053980

1,1,4,4-Tetramethyl-1,4-butanediol - Nature

Open Data Verified Data

prisms were precipitated in ethyl acetate and flaky crystals were precipitated in petroleum ether. Soluble in water, acetone, ethanol, benzene, chloroform, insoluble in carbon tetrachloride and kerosene. Flammable. Toxicity was unknown. Melting point 92. Boiling Point 214 °c. Density 0.898g/cm3 (20 degrees C).

Last Update：2024-01-02 23:10:35

1,1,4,4-Tetramethyl-1,4-butanediol - Preparation Method

Open Data Verified Data
  1. acetylene-acetone method acetylene and acetone are condensed with potassium hydroxide in benzene solvent, then acidified with hydrochloric acid and hydrogenated.
  2. methyl butynol acetone condensation method.
Last Update：2022-01-01 10:34:45

1,1,4,4-Tetramethyl-1,4-butanediol - Introduction

Soluble in water, soluble in acetone, ethylene glycol; insoluble in benzene, tetrachloromethane and petroleum ether.
Last Update：2022-10-16 17:11:58

1,1,4,4-Tetramethyl-1,4-butanediol - Use

Open Data Verified Data

It is mainly used for the preparation of pesticide pyrethroid, perfume, artificial musk, polyethylene plastic crosslinking agent and Polyether rubber.

Last Update：2022-01-01 10:34:44

1,1,4,4-Tetramethyl-1,4-butanediol - Safety

Open Data Verified Data
    Toxicity was unknown. But there are also reports that non-toxic.
  • the iron drum is packed with plastic bags. Sun protection, heat protection and moisture protection during storage. According to the general provisions of the storage and transportation of chemicals.
Last Update：2022-01-01 10:34:45

1,1,4,4-Tetramethyl-1,4-butanediol - Reference Information

LogP0.21 at 23℃
NIST chemical information Information provided by: webbook.nist.gov (external link)
EPA chemical information Information provided by: ofmpub.epa.gov (external link)
Uses 2,5-dimethyl-2, 5-hexanediol is an important intermediate for the preparation of the first chrysanthemum acid.
Used as an intermediate in organic synthesis. It is mainly used for the production of pesticide pyrethrin, perfume, organic peroxide, artificial musk, polyethylene plastic crosslinking agent and polyether rubber.
It is mainly used to prepare pesticide pyrethroid insecticides, spices, artificial musk, polyethylene plastic crosslinking agent, etc.
Production method 1. Acetylene-acetone method Acetylene and acetone are condensed with potassium hydroxide in benzene solvent, then acidified with hydrochloric acid and hydrogenated. 2. Methylbutynyl alcohol-acetone condensation method.
the industrial production of 2, 5-dimethyl-2, 5-hexanediol mostly uses acetylene and acetone as raw materials. in the past, the atmospheric alkynylation method was widely used. the process route was three steps of atmospheric alkynylation, hydrolysis and hydrogenation. Acetylene and acetone are acetylated with excess potassium hydroxide in a solvent under normal pressure to generate 2,5-dimethyl -3-hexyne -2,5-diol potassium, and then hydrolyzed under acidic conditions to generate 2,5-dimethyl -3-hexyne -2,5-diol, and finally using Raney nickel as a catalyst, catalytic hydrogenation under 2~2.5 MPa pressure to obtain the product. The normal pressure alkynylation technology is more mature, but for the gas-liquid phase alkynylation reaction, the production efficiency of the normal pressure operation is low from the kinetic point of view, and can only be carried out intermittently. In addition, the consumption of potassium hydroxide is large, and it is inconvenient to recycle, and the equipment is severely corroded, and the operation is troublesome. 2,5-dimethyl -2,5-hexanediol was prepared by the pressurized alkynylation method developed by Southwest Research Institute of Chemical Industry in China. The process is three steps of pressurized alkynylation, condensation and hydrogenation. Acetylene and acetone are reacted at a temperature of 35~40 ℃ under a pressure of 18~20 kgf/cm2(1kgf/cm2 = 98.0665kPa) in an autoclave to generate 2-methyl -3-butyyne -2-alcohol, then 2,5-dimethyl -3-hexyne -2,5-diol was synthesized by condensation with acetone at 30~50 ℃, and finally the product was obtained by catalytic hydrogenation at 30~80 ℃ with Lanini nickel as catalyst at 10kgf/cm2 pressure. Pressurized alkynylation method can be continuously produced with high production efficiency, while the consumption of potassium hydroxide is only 1/6~1/4 of that of atmospheric alkynylation method, and the alcohol hydrolyzed with alcohol is correspondingly reduced, and the corrosion of equipment is reduced. Yangzhou Chemical Plant adopts this method to produce.
toxic substance data information provided by: pubchem.ncbi.nlm.nih.gov (external link)
Last Update：2024-04-09 20:49:11
1,1,4,4-Tetramethyl-1,4-butanediol
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Guangzhou Yuanda New Material Co.,Ltd
Multiple Specifications
Product Name: 2,5-Dimethyl-2,5-hexanediol Request for quotation
CAS: 110-03-2
Tel: +86 19849939632
Email: 2470479589@qq.com
Mobile: +86 19849939632
QQ: 2470479589 Click to send a QQ message
Wechat: +86 19849939632
Hefei TNJ Chemical Industry Co.,Ltd.
Product Name: 2,5-Dimethyl-2,5-hexanediol Request for quotation
CAS: 110-03-2
Tel: 0086-551-65418684
Email: sales@tnjchem.com
　　　　 info@tnjchem.com
Mobile: 0086 189 4982 3763
QQ: 2881500840 Click to send a QQ message
Wechat: 0086 189 4982 3763
WhatsApp: 0086 189 4982 3763
Product List: View Catalog
Wuhan Xingzhongcheng Chemical limited company
Spot supply
Product Name: 2,5-Dimethyl-2,5-hexanediol Request for quotation
CAS: 110-03-2
Tel: 86+027-83389957
Email: 1024042217@qq.com
Mobile: 86+18627766980
QQ: 1024042217 Click to send a QQ message
Wechat: 18627766980
Shanghai Yuanye Bio-Technology Co., Ltd.
Product Name: 2,5-Dimethyl-2,5-hexanediol Visit Supplier Webpage Request for quotation
CAS: 110-03-2
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409 Click to send a QQ message
Wechat: 18301782025
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1,1,4,4-Tetramethyl-1,4-butanediol
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