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| CAS No.: | 126-86-3 |
|---|---|
| Name: | 2,4,7,9-Tetramethyl-5-decyne-4,7-diol |
| Article Data: | 7 |
| Molecular Structure: | |
|
|
|
| Formula: | C14H26O2 |
| Molecular Weight: | 226.359 |
| Synonyms: | 1,4-Diisobutyl-1,4-dimethylbutynediol;104E;2,4,7,9-Tetramethyl-5-decyn-4,7-diol;Acetylenol E 00;NSC 5630;Olfine AK 02;Olfine PD 301;Olfine STG-E;PD 301;Surfynol 104;Surfynol 104A;Surfynol104BC;Surfynol 104E;Surfynol 104H;Surfynol 104PA;Surfynol CT 111;SurfynolTG;Zetasperse 1200; |
| EINECS: | 204-809-1 |
| Density: | 0.947 g/cm3 |
| Melting Point: | 42-44 °C |
| Boiling Point: | 252.7 °C at 760 mmHg |
| Flash Point: | 97.3 °C |
| Solubility: | soluble in ethylene glycol and other organic solvents |
| Appearance: | Waxy-like white solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36-52/53 |
| Safety: | 26-37/39-61-39 |
| Transport Information: | 3077 |
| PSA: | 40.46000 |
| LogP: | 2.58400 |
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| Conditions | Yield |
|---|---|
| With potassium hydroxide In cyclohexane at 40 - 45℃; under 750.075 Torr; for 5.5h; Time; Autoclave; Inert atmosphere; | 84.1% |
| Conditions | Yield |
|---|---|
| With diethyl ether; sodium ethanolate |
- 108-10-1
4-methyl-2-pentanone
- 74-86-2
acetylene
A
- 107-54-0
3,5-dimethyl-1-hexyn-3-ol
B
- 126-86-3
2,4,7,9-tetramethyl-5-decyne-4,7-diol
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 6℃; under 2574.3 Torr; mixture of stereoisomer(ic)/s; |
- 108-10-1
4-methyl-2-pentanone
A
- 107-54-0
3,5-dimethyl-1-hexyn-3-ol
B
- 126-86-3
2,4,7,9-tetramethyl-5-decyne-4,7-diol
| Conditions | Yield |
|---|---|
| With potassium hydroxide folgendes Einleiten von Acetylen bei ca.3.5 at und 6grad; |
| Conditions | Yield |
|---|---|
| With potassium hydroxide; benzene at 20 - 25℃; mixture of stereoisomer(ic)/s; |
- 126-86-3
2,4,7,9-tetramethyl-5-decyne-4,7-diol
| Conditions | Yield |
|---|---|
| at 60℃; mixture of stereoisomer(ic)/s; |
- 60-29-7
diethyl ether
- 107-54-0
3,5-dimethyl-1-hexyn-3-ol
A
- 126-86-3
2,4,7,9-tetramethyl-5-decyne-4,7-diol
B
- 3329-48-4
3,5-dimethyl-hex-1-en-3-ol
| Conditions | Yield |
|---|---|
| at 60℃; die Natriumverbindung reagiert; |
- 126-86-3
2,4,7,9-tetramethyl-5-decyne-4,7-diol
- 1423124-94-0
(Z)-2,4,7,9-tetramethyldecan-5-ene-4,7-diol
| Conditions | Yield |
|---|---|
| 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 |
- 12130-66-4
bis(cycloocta-1,5-diene)platinum(0)
- 126-86-3
2,4,7,9-tetramethyl-5-decyne-4,7-diol
- 175728-91-3
(2,4,7,9-tetramethyldec-5-yne-4,7-diol)2Pt
| Conditions | Yield |
|---|---|
| In diethyl ether Ar-atmosphere, room temp; filtering, pptn. on concg. (-78°C), washing (pentane), drying (vac.); elem. anal.; | 87.4% |
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Specification
The IUPAC name of 5-Decyne-4,7-diol,2,4,7,9-tetramethyl- is 2,4,7,9-tetramethyldec-5-yne-4,7-diol. With the CAS registry number 126-86-3, it is also named as Tetramethyl decynediol. The product's categories are Acetylenes; Acetylenic Alcohols & Their Derivatives; Nonionic Surfactants; Nonionic Self-Assembly Materials; Polymer Additives; Surfactants. It is waxy-like white solid which is soluble in ethylene glycol and other organic solvents. What's more, it can used as non-ionic surfactant, dispersant, defoamer, emulsifier and viscosity depressant. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 136.46; (6)ACD/BCF (pH 7.4): 136.46; (7)ACD/KOC (pH 5.5): 1174.48; (8)ACD/KOC (pH 7.4): 1174.48; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.479; (13)Molar Refractivity: 67.83 cm3; (14)Molar Volume: 238.7 cm3; (15)Polarizability: 26.89×10-24 cm3; (16)Surface Tension: 36.1 dyne/cm; (17)Enthalpy of Vaporization: 56.93 kJ/mol; (18)Vapour Pressure: 0.00296 mmHg at 25°C; (19)Rotatable Bond Count: 6; (20)Exact Mass: 226.19328; (21)MonoIsotopic Mass: 226.19328; (22)Topological Polar Surface Area: 40.5; (23)Heavy Atom Count: 16; (24)Complexity: 256.
When you are using this chemical, please be cautious about it as the following:
It is not only irritating to eyes, but also harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection. Avoid release to the environment. Refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule structure.
1. SMILES:C(#CC(O)(C)CC(C)C)C(O)(C)CC(C)C
2. 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