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126-86-3

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126-86-3 Usage

Chemical Properties

2,4,7,9-Tetramethyl-5-decyne-4,7-diol is white to pale yellow low melting mass

Uses

Different sources of media describe the Uses of 126-86-3 differently. You can refer to the following data:
1. 2,4,7,9-Tetramethyl-5-decyne-4,7-diol is an acetylene glycol derivative used in water-based coatings and has both antifoaming and surfactant properties. It is highly toxic and have been found in acrylic adhesives used for food packaging multilayers manufacturing.
2. 2, 4, 7, 9-tetramethyldec-5-yne-4,7-diol may be used to dope poly[9,9-bis(6′-(diethanolamino)hexyl)-fluorene],that acts as an interfacial layer in a heterojunction solar cell.

General Description

2, 4, 7, 9-tetramethyldec-5-yne-4,7-diol is a well-known acrylic adhesive. It has amphiphilic characteristics. It is used a dopant in a heterojunction solar cell, it assists in the formation of a homogeneous interfacial layer over the photoactive layer. Doping results in decreasing the absorption of photons in the underneath photoactive layer, thereby in enhancing the photocurrent density.

Flammability and Explosibility

Nonflammable

Check Digit Verification of cas no

The CAS Registry Mumber 126-86-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,2 and 6 respectively; the second part has 2 digits, 8 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 126-86:
(5*1)+(4*2)+(3*6)+(2*8)+(1*6)=53
53 % 10 = 3
So 126-86-3 is a valid CAS Registry Number.
InChI:InChI=1/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3/t13-,14-/m1/s1

126-86-3 Well-known Company Product Price

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  • Aldrich

  • (278386)  2,4,7,9-Tetramethyl-5-decyne-4,7-diol,mixtureof(±)andmeso  98%

  • 126-86-3

  • 278386-100G

  • 545.22CNY

  • Detail

126-86-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,4,7,9-Tetramethyl-5-decyne-4,7-diol

1.2 Other means of identification

Product number -
Other names 2,4,7,9-Tetramethyl-dec-5-in-4,7-diol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. CBI
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:126-86-3 SDS

126-86-3Synthetic route

4-methyl-2-pentanone
108-10-1

4-methyl-2-pentanone

acetylene
74-86-2

acetylene

2,4,7,9-tetramethyl-5-decyne-4,7-diol
126-86-3

2,4,7,9-tetramethyl-5-decyne-4,7-diol

Conditions
ConditionsYield
With potassium hydroxide In cyclohexane at 40 - 45℃; under 750.075 Torr; for 5.5h; Time; Autoclave; Inert atmosphere;84.1%
3,5-dimethyl-1-hexyn-3-ol
107-54-0

3,5-dimethyl-1-hexyn-3-ol

2,4,7,9-tetramethyl-5-decyne-4,7-diol
126-86-3

2,4,7,9-tetramethyl-5-decyne-4,7-diol

Conditions
ConditionsYield
With diethyl ether; sodium ethanolate
4-methyl-2-pentanone
108-10-1

4-methyl-2-pentanone

acetylene
74-86-2

acetylene

A

3,5-dimethyl-1-hexyn-3-ol
107-54-0

3,5-dimethyl-1-hexyn-3-ol

B

2,4,7,9-tetramethyl-5-decyne-4,7-diol
126-86-3

2,4,7,9-tetramethyl-5-decyne-4,7-diol

Conditions
ConditionsYield
With potassium hydroxide at 6℃; under 2574.3 Torr; mixture of stereoisomer(ic)/s;
4-methyl-2-pentanone
108-10-1

4-methyl-2-pentanone

A

3,5-dimethyl-1-hexyn-3-ol
107-54-0

3,5-dimethyl-1-hexyn-3-ol

B

2,4,7,9-tetramethyl-5-decyne-4,7-diol
126-86-3

2,4,7,9-tetramethyl-5-decyne-4,7-diol

Conditions
ConditionsYield
With potassium hydroxide folgendes Einleiten von Acetylen bei ca.3.5 at und 6grad;
4-methyl-2-pentanone
108-10-1

4-methyl-2-pentanone

calcium carbide

calcium carbide

2,4,7,9-tetramethyl-5-decyne-4,7-diol
126-86-3

2,4,7,9-tetramethyl-5-decyne-4,7-diol

Conditions
ConditionsYield
With potassium hydroxide; benzene at 20 - 25℃; mixture of stereoisomer(ic)/s;
sodium salt of 2.4-dimethyl-hexyn-(5)-ol-(4)

sodium salt of 2.4-dimethyl-hexyn-(5)-ol-(4)

2,4,7,9-tetramethyl-5-decyne-4,7-diol
126-86-3

2,4,7,9-tetramethyl-5-decyne-4,7-diol

Conditions
ConditionsYield
at 60℃; mixture of stereoisomer(ic)/s;
diethyl ether
60-29-7

diethyl ether

3,5-dimethyl-1-hexyn-3-ol
107-54-0

3,5-dimethyl-1-hexyn-3-ol

sodium

sodium

A

2,4,7,9-tetramethyl-5-decyne-4,7-diol
126-86-3

2,4,7,9-tetramethyl-5-decyne-4,7-diol

B

3,5-dimethyl-hex-1-en-3-ol
3329-48-4

3,5-dimethyl-hex-1-en-3-ol

3,5-dimethyl-1-hexyn-3-ol
107-54-0

3,5-dimethyl-1-hexyn-3-ol

A

2,4,7,9-tetramethyl-5-decyne-4,7-diol
126-86-3

2,4,7,9-tetramethyl-5-decyne-4,7-diol

B

solid 2.4.7.9-tetramethyl-decyne-(5)-diol-(4.7)

solid 2.4.7.9-tetramethyl-decyne-(5)-diol-(4.7)

Conditions
ConditionsYield
at 60℃; die Natriumverbindung reagiert;
2,4,7,9-tetramethyl-5-decyne-4,7-diol
126-86-3

2,4,7,9-tetramethyl-5-decyne-4,7-diol

(Z)-2,4,7,9-tetramethyldecan-5-ene-4,7-diol
1423124-94-0

(Z)-2,4,7,9-tetramethyldecan-5-ene-4,7-diol

Conditions
ConditionsYield
With C16H26CuO In 2-methyl-propan-1-ol; toluene at 40℃; for 8h;99%
With hydrazine hydrate In ethanol at 20 - 80℃; for 24h;99%
With [1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene]copper(I) tert-butoxide; tert-butyl alcohol In toluene at 40℃; for 8h; Inert atmosphere; Glovebox; diastereoselective reaction;227 mg
bis(cycloocta-1,5-diene)platinum(0)
12130-66-4

bis(cycloocta-1,5-diene)platinum(0)

2,4,7,9-tetramethyl-5-decyne-4,7-diol
126-86-3

2,4,7,9-tetramethyl-5-decyne-4,7-diol

(2,4,7,9-tetramethyldec-5-yne-4,7-diol)2Pt
175728-91-3

(2,4,7,9-tetramethyldec-5-yne-4,7-diol)2Pt

Conditions
ConditionsYield
In diethyl ether Ar-atmosphere, room temp; filtering, pptn. on concg. (-78°C), washing (pentane), drying (vac.); elem. anal.;87.4%
2,4,7,9-tetramethyl-5-decyne-4,7-diol
126-86-3

2,4,7,9-tetramethyl-5-decyne-4,7-diol

Ni(1,5,9-cyclododecatriene)

Ni(1,5,9-cyclododecatriene)

(2,4,7,9-tetramethyldec-5-yne-4,7-diol)2Ni
175728-88-8

(2,4,7,9-tetramethyldec-5-yne-4,7-diol)2Ni

Conditions
ConditionsYield
In pentane Ar-atmosphere; pptn. (-30°C), washing (pentane, -20°C), drying (vac.); elem. anal.;70.4%
bis(1,5-cyclooctadiene)nickel (0)
1295-35-8

bis(1,5-cyclooctadiene)nickel (0)

2,4,7,9-tetramethyl-5-decyne-4,7-diol
126-86-3

2,4,7,9-tetramethyl-5-decyne-4,7-diol

(2,4,7,9-tetramethyldec-5-yne-4,7-diol)Ni(C8H12)
175728-89-9

(2,4,7,9-tetramethyldec-5-yne-4,7-diol)Ni(C8H12)

Conditions
ConditionsYield
In tetrahydrofuran Ar-atmosphere; refluxing (2 h); evapn. (vac.), repptn. (Et2O, -20°C); elem. anal.;54.8%
2,4,7,9-tetramethyl-5-decyne-4,7-diol
126-86-3

2,4,7,9-tetramethyl-5-decyne-4,7-diol

2,5-diisobutyl-2,5-dimethyl-dihydro-furan-3-one
100912-23-0

2,5-diisobutyl-2,5-dimethyl-dihydro-furan-3-one

Conditions
ConditionsYield
With water; mercury(II) sulfate
2,4,7,9-tetramethyl-5-decyne-4,7-diol
126-86-3

2,4,7,9-tetramethyl-5-decyne-4,7-diol

2,4,7,9-tetramethyl-decan-4-ol
92318-61-1

2,4,7,9-tetramethyl-decan-4-ol

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In n-heptane
2,4,7,9-tetramethyl-5-decyne-4,7-diol
126-86-3

2,4,7,9-tetramethyl-5-decyne-4,7-diol

2,4,7,9-tetramethyl-decane-4,7-diol
17913-76-7

2,4,7,9-tetramethyl-decane-4,7-diol

Conditions
ConditionsYield
With potassium hydroxide; hydrogen; palladium on activated charcoal In n-heptane
2,4,7,9-tetramethyl-5-decyne-4,7-diol
126-86-3

2,4,7,9-tetramethyl-5-decyne-4,7-diol

2,4,7,9-tetramethyl-dec-5-ene-4,7-diol
149079-55-0

2,4,7,9-tetramethyl-dec-5-ene-4,7-diol

Conditions
ConditionsYield
With potassium hydroxide; hydrogen; palladium on activated charcoal In n-heptane

126-86-3Relevant articles and documents

Method for the combined production of tetramethyldecyndiol and dimethylhexynyl alcohol

-

Paragraph 0025-0040, (2022/01/12)

A method for co-producing tetramethyldecyndiol and dimethylhexynyl alcohol, using 4-methyl-2-pentanone and acetylene as raw material, potassium hydroxide as a catalyst, and organic solvent as a dispersant, first reacting 4-methyl-2-pentanone with acetylene at atmospheric pressure or low pressure at a lower temperature to form a dimethylhexynyl alcohol-potassium hydroxide complex, and then mixing it with 4-methyl-2-pentanone quickly reacts through a high-temperature reaction tube to generate tetramethyldyne glycol. After the reaction product is water-relieved of potassium hydroxide, each target product is collected by fractionation. The present invention has the characteristics of short reaction time, low catalyst consumption and easy recovery of products.

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