Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Propynol ethoxylate |
EINECS | 223-601-1 |
CAS No. | 3973-18-0 | Density | 1.014 g/cm3 |
PSA | 29.46000 | LogP | -0.37150 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H8O2 | Boiling Point | 168.7 °C at 760 mmHg |
Molecular Weight | 100.117 | Flash Point | 68.9 °C |
Transport Information | N/A | Appearance | Colorless to yellowish liquid |
Safety | 26 | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Ethanol,2-(2-propynyloxy)- (6CI,7CI,8CI,9CI);2-(2-Propynyloxy)ethanol;2-(Propargyloxy)ethanol;2-Propynoxyethanol;3-(2-Hydroxyethoxy)-1-propyne;4-Oxa-1-hexyn-6-ol;Ethylene glycol monopropargyl ether; |
Article Data | 50 |
Conditions | Yield |
---|---|
Stage #1: ethylene glycol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.5h; Stage #2: propargyl bromide at 0 - 50℃; | 80% |
Stage #1: ethylene glycol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.5h; Stage #2: propargyl bromide In N,N-dimethyl-formamide; mineral oil at 0 - 50℃; | 80% |
With potassium hydroxide In water; toluene at 4 - 20℃; for 48h; | 76% |
propynoic aldehyde ethyleneglycol acetal
2-(prop-2-ynyloxy)ethanol
Conditions | Yield |
---|---|
With benzo[1,3,2]dioxaborole In benzene at 50℃; | 67% |
ethylene glycol vinyl propargyl diether
2-(prop-2-ynyloxy)ethanol
Conditions | Yield |
---|---|
(hydrolysis); |
Conditions | Yield |
---|---|
(i) Na, (ii) /BRN= 506005/; Multistep reaction; |
tert-butyl dimethyl(2-(prop-2-yn-1-yloxy)ethoxy)silane
2-(prop-2-ynyloxy)ethanol
Conditions | Yield |
---|---|
With hydrogen fluoride In water; acetonitrile at 0℃; for 3h; |
Conditions | Yield |
---|---|
In diethyl ether; water; ethylene glycol; toluene |
Conditions | Yield |
---|---|
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine at 60℃; Inert atmosphere; |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere; | 99% |
With triethylamine In diethyl ether at 0 - 20℃; for 1.5h; Inert atmosphere; | 91% |
With triethylamine In diethyl ether at 0℃; | |
With triethylamine In diethyl ether at 0℃; | |
With triethylamine In dichloromethane at 0℃; for 0.166667h; Inert atmosphere; Schlenk technique; |
Conditions | Yield |
---|---|
With phosphomolybdic acid; toluene-4-sulfonic acid In 5,5-dimethyl-1,3-cyclohexadiene at 140 - 145℃; for 8h; Temperature; Reagent/catalyst; | 99% |
The Propynol ethoxylate is an organic compound with the formula C5H8O2. The IUPAC name of this chemical is 2-prop-2-ynoxyethanol. With the CAS registry number 3973-18-0, it is also named as Ethanol, 2-(2-propyn-1-yloxy)-. What's more, this chemical is colorless to yellowish liquid which is used as leveling agent and brightening agent.
The other characteristics of Propynol ethoxylate can be summarized as: (1)ACD/LogP: -0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.25; (4)ACD/LogD (pH 7.4): -0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.47; (8)ACD/KOC (pH 7.4): 17.47; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.446; (13)Molar Refractivity: 26.32 cm3; (14)Molar Volume: 98.7 cm3; (15)Polarizability: 10.43×10-24 cm3; (16)Surface Tension: 38.8 dyne/cm; (17)Enthalpy of Vaporization: 47.18 kJ/mol; (18)Vapour Pressure: 0.52 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 100.05243; (21)MonoIsotopic Mass: 100.05243; (22)Topological Polar Surface Area: 29.5; (23)Heavy Atom Count: 7; (24)Complexity: 69.4 .
People can use the following data to convert to the molecule structure.
1. SMILES:C#CCOCCO
2. InChI:InChI=1/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2
3. InChIKey:GHGCQQRMJCSIBQ-UHFFFAOYAZ
4. Std. InChI:InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2
5. Std. InChIKey:GHGCQQRMJCSIBQ-UHFFFAOYSA-N