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ChemicalBook >> CAS DataBase List >>2,4,7,9-Tetramethyl-5-decyne-4,7-diol

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

2,4,7,9-Tetramethyl-5-decyne-4,7-diol Structure
2,4,7,9-Tetramethyl-5-decyne-4,7-diol structure
CAS No.
126-86-3
Chemical Name:
2,4,7,9-Tetramethyl-5-decyne-4,7-diol
Synonyms
TMDD;2,4,7,9-TETRAMETHYL-5-DECYN-4,7-DIOL;TL-104;TETRAMETHYL DECYNEDIOL;surfynol104;2,4,7,9-tetramethyldec-5-yne-4,7-diol;S-104;PD 30;NSC 5630;syrfynol104
CBNumber:
CB3458215
Molecular Formula:
C14H26O2
Molecular Weight:
226.35
MDL Number:
MFCD00008942
MOL File:
126-86-3.mol
MSDS File:
SDS
Last updated:2026-07-31 08:25:00
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2,4,7,9-Tetramethyl-5-decyne-4,7-diol Properties

Melting point 42-44 °C(lit.)
Boiling point 255 °C(lit.)
Density 0,89 g/cm3
vapor pressure 0.66Pa at 20℃
refractive index 1.4560 (estimate)
Flash point >230 °F
storage temp. 2-8°C
solubility Chloroform (Slightly), Methanol (Slightly)
form Solid
pka 12.92±0.29(Predicted)
color White to Off-White
Water Solubility 1.7g/L at 20℃
BRN 1724053
Hydrophilic-Lipophilic Balance (HLB) 4
Cosmetics Ingredients Functions CLEANSING
SURFACTANT - CLEANSING
InChI 1S/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
InChIKey DCAZNTOSTOZBEI-UHFFFAOYSA-N
SMILES CC(C)CC(C)(O)C#CC(C)(O)CC(C)C
LogP 2.8 at 22℃
CAS DataBase Reference 126-86-3(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances 2,4,7,9-TETRAMETHYL-5-DECYNE-4,7-DIOL
FDA 21 CFR 175.300
EWG's Food Scores 1-3
FDA UNII B9Y126NY8K
EPA Substance Registry System 2,4,7,9-Tetramethyl-5-decyne-4,7-diol (126-86-3)
UNSPSC Code 12352103
NACRES NA.23

SAFETY

Risk and Safety Statements

Symbol(GHS)  Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
Signal word  Danger
Hazard statements  H317-H318-H412
Precautionary statements  P261-P272-P273-P280-P302+P352-P305+P351+P338
PPE Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes  Xi
Risk Statements  36-52/53
Safety Statements  26-37/39-61-39-37/29
RIDADR  3077
WGK Germany  3
TSCA  TSCA listed
PackingGroup  III
HS Code  29053990
Storage Class 13 - Non Combustible Solids
Hazard Classifications Aquatic Chronic 3
Eye Dam. 1
Skin Sens. 1
Hazardous Substances Data 126-86-3(Hazardous Substances Data)
REACH Registrations Active
NFPA 704
1
0 0

2,4,7,9-Tetramethyl-5-decyne-4,7-diol price More Price(33)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 278386 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, mixture of (±) and meso 98% 126-86-3 100g $71.7 2026-04-30 Buy
TCI Chemical T0724 2,4,7,9-Tetramethyl-5-decyne-4,7-diol (DL- and meso- mixture) >95.0%(GC) 126-86-3 25g $25 2026-04-30 Buy
TCI Chemical T0724 2,4,7,9-Tetramethyl-5-decyne-4,7-diol (DL- and meso- mixture) >95.0%(GC) 126-86-3 500g $117 2026-04-30 Buy
Usbiological 289730 2,4,7,9-Tetramethyl-5-decyn-4,7 diol Asreported 126-86-3 250g $360 2026-06-03 Buy
Usbiological 289730 2,4,7,9-Tetramethyl-5-decyn-4,7 diol Asreported 126-86-3 500g $496 2026-06-03 Buy
Product number Packaging Price Buy
278386 100g $71.7 Buy
T0724 25g $25 Buy
T0724 500g $117 Buy
289730 250g $360 Buy
289730 500g $496 Buy

2,4,7,9-Tetramethyl-5-decyne-4,7-diol Chemical Properties, Uses, Production

Chemical Properties

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

Uses

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.

Uses

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.

Hazard

In vivo experiments have shown that 2,4,7,9-Tetramethyl-5-decyne-4,7-diol induced lethargy in a lethal dose inhalation study in rats; tremors and convulsions were induced in a feeding study in dogs. It is an irritant to human skin and eyes, as well as a neurotoxic hazard to the rest of the central nervous system.

Flammability and Explosibility

Non flammable

Synthesis

4-Methyl-2-pentanone

108-10-1

Acetylene

74-86-2

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

126-86-3

1. the concentrated alkali solution from Example 1 was dehydrated under reduced pressure to obtain 14 g of paste. 2. the paste was mixed with 10 g of the novel coordination catalyst, 100 g of methyl isobutyl ketone, 40 g of cyclohexane and 31 g of divinyl ether. 3. The mixture was placed in a 500 mL autoclave, the air was replaced with nitrogen and the temperature was controlled at 40~45°C. 4. Acetylene was introduced into the reaction system, keeping the system pressure not higher than 0.1 MPa. When 11.7 g of acetylene was introduced, the pressure of the system was kept for 10 minutes and did not decrease any further, and the reaction was stopped. At this time, the reaction time was 5.5 hours. 5. After cooling to room temperature, the reaction solution in the autoclave was transferred to a 500 mL beaker, 10 g of deionized water was added, and the system was stratified. 6. 26 g of concentrated lye solution containing the lower layer of lye was isolated and transferred to a 250 mL beaker. 7. The organic layer was neutralized with 20% phosphoric acid solution to pH 6-7, and the brine layer was separated to give 190g of organic phase. 8. The organic phase was transferred to a 250mL three-necked flask and 17g of the semi-finished ethynediol product of Example 1 was added. 9. 37 g of cyclohexane was distilled at atmospheric pressure followed by a reduced pressure distillation. 10. 1.5 g of low boiling point material was collected at 60 °C under vacuum at -0.098 MPa, 31 g of pre-fraction was collected at 60-90 °C, and 28 g of diethylene glycol divinyl ether was collected at 90-120 °C. 11. 120 g of ethynediol semi-finished product was obtained at 120-150 °C and 85.5 g of ethynediol product was collected at 150-155 °C. 12. The heating was stopped, cooled to room temperature and 2 g of high boiling point residue remained in the beaker. 13. The yield of acetylene diol (relative to acetylene) was calculated to be 84.1%. 14. 20 g of potassium hydroxide and 200 g of diethylene glycol divinyl ether were weighed in a 500 mL three-necked flask and the reaction was heated to 60° C. with stirring until the potassium hydroxide was completely dissolved. 15. Weigh the above-prepared complexation catalyst, mix it with 100g methyl isobutyl ketone and 50g cyclohexane, put it into a 500mL autoclave, and replace the air with nitrogen. 16. Control the temperature at 40-45°C, pass acetylene into the reaction system, keep the system pressure not higher than 0.1 MPa. 17. When 10.4 g of acetylene was passed, the pressure of the system was maintained for 10 minutes and did not decrease any further, and the reaction was stopped. At this point, the reaction time was 6 hours. 18. After cooling to room temperature, the reaction solution was transferred to a 500 mL beaker, 10 g of deionized water was added, and the system was stratified. 19. 23 g of concentrated alkaline solution containing the lower layer of oxime was isolated and transferred to a 250 mL beaker. 20. The organic layer was neutralized with 20% phosphoric acid solution to pH 6-7 and the brine layer was separated to give 185g of organic phase. 21. The organic phase was transferred to a 250mL three-necked flask, 46g of cyclohexane was added, and the cyclohexane was distilled out at atmospheric pressure, followed by distillation under reduced pressure. 22. 1 g of low boiling point material was collected at 60 °C, 18 g of pre-fraction was collected at 60-90 °C and 31 g of diethylene glycol divinyl ether was collected at 90-120 °C at a pressure of -0.098 MPa. 23. 17 g of ethynediol semi-finished product was obtained at 120-150 °C and 69 g of ethynediol product was collected at 150-155 °C. 24. The heating was stopped, cooled to room temperature and 3 g of high boiling point residue remained in the beaker. 25. The yield of ethynediol (relative to acetylene) was calculated to be 76.3%.

Toxics Screening Level

The Initial threshold Screening Level (ITSL) is 70μg/m3 based on annual averaging.

References

[1] Patent: CN107963960, 2018, A. Location in patent: Paragraph 0058; 0059

2,4,7,9-Tetramethyl-5-decyne-4,7-diol Preparation Products And Raw materials

Raw materials

4-Methyl-2-pentanone Acetylene Potassium hydroxide Cyclohexane

Preparation Products

2,4,7,9-Tetramethyl-5-decyne-4,7-diol Suppliers

Global Suppliers ( 358)
Supplier Tel Email Country ProdList Advantage
Wuhan Jadechem Chemicals., Ltd. 0724-0724-6055096 13545063953 44403767@qq.com China 29 58
Wuhan Jadechem International Trade Co.,Ltd 13971123046 18672350362 info@jadechem-intl.com China 62 55
Shenzhen Jihechang New Material Co. , Ltd. 13823135556 262812597@qq.com China 120 58
WUHAN JADECHEM NEW MATERIALS CO.. LTD 18602737196 18602737196 jhc100104@jadechem.com China 61 58
Hubei Langbowan Biopharmaceutical Co., Ltd  18086032675 3831791620@qq.com China 1798 58
J & K SCIENTIFIC LTD. 18210857532 18210857532 jkinfo@jkchemical.com China 96815 76
Meryer (Shanghai) Chemical Technology Co., Ltd. 4006356688 18621169109 market03@meryer.com China 40202 62
Sichuan Zhongbang Pharma CO.，LTD 0830-0830-2585019 13679670161 sales2@zhongbangst.com China 105 69
future industrial shanghai co., ltd 400-0066400 13621662912 sales@jonln.com China 1989 65
Alfa Aesar 400-6106006 saleschina@alfa-asia.com China 30103 84
Supplier Advantage
Wuhan Jadechem Chemicals., Ltd. 58
Wuhan Jadechem International Trade Co.,Ltd 55
Shenzhen Jihechang New Material Co. , Ltd. 58
WUHAN JADECHEM NEW MATERIALS CO.. LTD 58
Hubei Langbowan Biopharmaceutical Co., Ltd  58
J & K SCIENTIFIC LTD. 76
Meryer (Shanghai) Chemical Technology Co., Ltd. 62
Sichuan Zhongbang Pharma CO.，LTD 69
future industrial shanghai co., ltd 65
Alfa Aesar 84

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

2,4,7,9-Tetramethyl-5-decyne-4,7-diol(126-86-3)MS2,4,7,9-Tetramethyl-5-decyne-4,7-diol(126-86-3)1HNMR2,4,7,9-Tetramethyl-5-decyne-4,7-diol(126-86-3)13CNMR2,4,7,9-Tetramethyl-5-decyne-4,7-diol(126-86-3)IR12,4,7,9-Tetramethyl-5-decyne-4,7-diol(126-86-3)Raman

126-86-3 (2,4,7,9-Tetramethyl-5-decyne-4,7-diol) Related Search:

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1of4

5-DECYNE-4,7-DIOL-2,4,7,9-TETRAMETHYL 4,7-DIHYDROXY-2,4,7,9-TETRAMETHYL-5-DECYNE TIMTEC-BB SBB008941 SURFYNOL TG 1,4-diisobutyl-1,4-dimethylbutynediol 2,4,7,9-TETRAMETHYL-5-DECYNE-4,7-DIOL 2,4,7,9-tetramethyl-5-decyne-7-diol 7-diol,2,4,7,9-tetramethyl-5-Decyne-4 syrfynol104 SURFONYL 104PG5 SURFACTANT 2,4,7,9-TETRAMETHYL-5-DECYNE-4,7-DIOL, 9 8%, MIXTURE OF (+/-) AND MESO 2,4,7,9-Tetramethyl-5-decyne-4,7-diol (DL- and meso- mixture) 2,4,7,9-Tetramethyl-5-decyne-4,7-diol,mixture of (? and meso Base material wetting agent TL-J series Ethoxylated Acetylenic Diol TL-J20 TL-J40 TL-J50 TL-J65 2,4,7,9-TETRAMETHYL-5-DECYNE-4,7-DIOL, MIXTURE OF (+/-)&MESO 2,4,7,9-Tetramethyl-4,7-diol-5-decyne(TMDD) Tetramethyl-5-decyne-4,7-diol, 2,4,7,9- 2,4,7,9-Tetramethyl-4,7-diol-5-decyne S-104 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, (±) + meso, 98% 2,4,7,9-Tetramethyl-5-decyne-4,7-diol ,98% 2,4,7,9-Tetramethyl-5-decyne-4,7-diol (mix of (±) and meso) 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, mixture of (§1) and meso, 98% Acetylenol E 00 NSC 5630 Olfine AK 02 Olfine PD 301 Olfine STG-E PD 30 Surfynol PG 50 Zetasperse 1200 2,4,7,9-TetraMethyl-5-decyne-4,7-diol (DL- and Meso- Mixture) MULTI-FUNCTIONAL NON-IONIC SURFACE-ACTIVE AGENT 2,4,7,9-TetraMethyl-5-decyne-4,7-diol DDTM 2.4.7.9-TetraM 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, mixture of (+/-) and meso 98% 2,4,7,9-Tetramethyl-5-decyne-4,7-diol (DL- and meso- mixture) 2,4,7,9-Tetramethyl-5-decyne-4,7-diol (DL- and meso- mixture)> Tetramethyldec-5-yne-4,7-diol Wetting agent Sunkynol 304E 2,4,7,9-Tetramethyl-5-decyne-4,7-diol,mixture of (±) and meso Wetting agent IOTA 245 Surfynol-PG 2,4,7,9-Tetramethyl-5-decyne-4,7-diol (TMDD) 2,4,7,9-Tetramethyl-5-decyne-4,7-diol in solvent UNII:B9Y126NY8K 2,4,7,9-Tetramethyl-5-decyne-4,7-diol (technical grade) Bifeprunox Impurity 60 2,4,7,9-Tetramethyl-5-decyne-4,7-diol TL-104 2,4,7,9-Tetramethyl-5-decyne-4,7-diol, mixture of (±) and meso 2,4,7,9-Tetramethyl-5-decyne-4,7-diol (mixture of isomers) 2,4,7,9-tetramethyldec-5-yne-4,7-diol Tetramethyldecanediol 2,4,7,9-Tetramethyl-5-decyne-4,7-diol and Ethylene glycol 2,4,7,9-TETRAMETHYL-5-DECYN-4,7-DIOL surfynol104 TETRAMETHYL DECYNEDIOL