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| CAS No.: | 1606-85-5 |
|---|---|
| Name: | 1,4-Bis(2-hydroxyethoxy)-2-butyne |
| Molecular Structure: | |
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| Formula: | C8H14O4 |
| Molecular Weight: | 174.197 |
| Synonyms: | Ethanol,2,2'-(2-butynylenedioxy)di- (6CI,7CI,8CI);1,4-Di(b-hydroxyethoxy)-2-butyne;2,2'-(2-Butyne-1,4-diyldioxy)diethanol;2-Butyne-1,4-diol, bis(b-hydroxyethyl) ether;Ferasine;NSC 73709;Butynediol ethoxylate; |
| EINECS: | 216-526-0 |
| Density: | 1.148 g/cm3 |
| Boiling Point: | 322.1 °C at 760 mmHg |
| Flash Point: | 148.6 °C |
| Appearance: | clear yellow to brown viscous liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 58.92000 |
| LogP: | -0.99240 |
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- 1606-85-5
2,2'-(but-2-yne-1,4-diylbis(oxy))diethanol
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In tetrahydrofuran; methanol at 30℃; Inert atmosphere; | 73% |
- 1606-85-5
2,2'-(but-2-yne-1,4-diylbis(oxy))diethanol
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In tetrahydrofuran; methanol at 30℃; Inert atmosphere; | 73% |
- 1606-85-5
2,2'-(but-2-yne-1,4-diylbis(oxy))diethanol
- 1426937-56-5
1,4-bis(2-bromoethoxy)-2-butyne
| Conditions | Yield |
|---|---|
| With carbon tetrabromide; triphenylphosphine In dichloromethane at 0℃; Inert atmosphere; | 76% |
- 1606-85-5
2,2'-(but-2-yne-1,4-diylbis(oxy))diethanol
- 5292-43-3
bromoacetic acid tert-butyl ester
- 727729-25-1
3,6,11,14-tetraoxa-8-hexadecyne-1,16-dioic acid di-tert-butyl ester
| Conditions | Yield |
|---|---|
| Stage #1: 2,2'-(but-2-yne-1,4-diylbis(oxy))diethanol With sodium hydride In N,N-dimethyl-formamide at 0℃; for 2h; Stage #2: bromoacetic acid tert-butyl ester In N,N-dimethyl-formamide at 0 - 20℃; | 68% |
- 1606-85-5
2,2'-(but-2-yne-1,4-diylbis(oxy))diethanol
- 1311149-75-3
(Z)-2,2'-(but-2-ene-1,4-diylbis(oxy))diethanol
| Conditions | Yield |
|---|---|
| Stage #1: 2,2'-(but-2-yne-1,4-diylbis(oxy))diethanol With pyridine In ethyl acetate at 20℃; for 1h; Inert atmosphere; Stage #2: With hydrogen In ethyl acetate at 20℃; for 24h; Inert atmosphere; | 60% |
- 1606-85-5
2,2'-(but-2-yne-1,4-diylbis(oxy))diethanol
| Conditions | Yield |
|---|---|
| With dmap; thionyl chloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 0℃; Inert atmosphere; | 50% |
- 1606-85-5
2,2'-(but-2-yne-1,4-diylbis(oxy))diethanol
- 13992-25-1
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- 1426937-70-3
C22H33N3O13
| Conditions | Yield |
|---|---|
| With chloro(1,5-cyclooctadiene)(pentamethylcyclopentadiene)ruthenium(II) In 1,4-dioxane at 20℃; Inert atmosphere; | 45% |
- 1606-85-5
2,2'-(but-2-yne-1,4-diylbis(oxy))diethanol
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| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 48h; | 42% |
| Conditions | Yield |
|---|---|
| With Chirazyme-L9; sodium sulfate In tert-butyl methyl ether at 45℃; for 120h; | 40% |
- 23103-34-6
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- 1606-85-5
2,2'-(but-2-yne-1,4-diylbis(oxy))diethanol
- 1426937-72-5
C40H60N6O23
| Conditions | Yield |
|---|---|
| With chloro(1,5-cyclooctadiene)(pentamethylcyclopentadiene)ruthenium(II) In 1,4-dioxane at 20℃; Inert atmosphere; | 35% |
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Specification
The Ethanol,2,2'-[2-butyne-1,4-diylbis(oxy)]bis-, with CAS registry number 1606-85-5, belongs to the following product categories: (1)Acetylenes; (2)Acetylenic Alcohols & Their Derivatives. It has the systematic name of 2,2'-[but-2-yne-1,4-diylbis(oxy)]diethanol. This chemical is a kind of clear yellow to brown viscous liquid.
Physical properties of Ethanol,2,2'-[2-butyne-1,4-diylbis(oxy)]bis-: (1)ACD/LogP: -0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.73; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.57; (8)ACD/KOC (pH 7.4): 9.57; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 43.67 cm3; (15)Molar Volume: 151.6 cm3; (16)Polarizability: 17.31×10-24cm3; (17)Surface Tension: 49 dyne/cm; (18)Enthalpy of Vaporization: 65.36 kJ/mol; (19)Vapour Pressure: 2.28E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Ethanol,2,2'-[2-butyne-1,4-diylbis(oxy)]bis- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O(CC#CCOCCO)CCO
(2)InChI: InChI=1/C8H14O4/c9-3-7-11-5-1-2-6-12-8-4-10/h9-10H,3-8H2
(3)InChIKey: IXAWTPMDMPUGLV-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H14O4/c9-3-7-11-5-1-2-6-12-8-4-10/h9-10H,3-8H2
(5)Std. InChIKey: IXAWTPMDMPUGLV-UHFFFAOYSA-N
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