CAS No.1606-85-5,1,4-Bis(2-hydroxyethoxy)-2-butyne Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1606-85-5
Name:	1,4-Bis(2-hydroxyethoxy)-2-butyne
Article Data:	6

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
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	58.92000
LogP:	-0.99240

Synthetic route

: 2,2'-(but-2-yne-1,4-diylbis(oxy))diethanol ditrityl ether

: 1606-85-5
2,2'-(but-2-yne-1,4-diylbis(oxy))diethanol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In tetrahydrofuran; methanol at 30℃; Inert atmosphere;	73%

: 2,2'-(but-2-yne-1,4-diylbis(oxy))diethanol ditrityl ether

: 1606-85-5
2,2'-(but-2-yne-1,4-diylbis(oxy))diethanol

Conditions

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

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

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

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

: 1,3,6,11-tetraoxa-2-thiacyclotridec-8-yne 2-oxide

Conditions

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
1-azido-1-deoxy-β-D-glucopyranoside tetraacetate

: 1426937-70-3
C22H33N3O13

Conditions

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

: 21159-68-2
2,2’-(butane-1,4-diylbis(oxy))bis(ethan-1-ol)

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 48h;	42%

: 1606-85-5
2,2'-(but-2-yne-1,4-diylbis(oxy))diethanol

: 1172114-49-6
C18H22O8

: 1200091-24-2
C26H32O10

Conditions

Conditions	Yield
With Chirazyme-L9; sodium sulfate In tert-butyl methyl ether at 45℃; for 120h;	40%

: 23103-34-6
2,3,4-tri-O-acetyl-6-azido-6-deoxy-α-D-glucopyranosyl-(1→1)-2,3,4-tri-O-acetyl-6-azido-6-deoxy-α-D-glucopyranoside

: 1606-85-5
2,2'-(but-2-yne-1,4-diylbis(oxy))diethanol

: 1426937-72-5
C40H60N6O23

Conditions

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