CAS No.3973-18-0,Propynol ethoxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3973-18-0
Name:	Propynol ethoxylate
Article Data:	50

Formula:	C₅H₈O₂
Molecular Weight:	100.117
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;
EINECS:	223-601-1
Density:	1.014 g/cm³
Boiling Point:	168.7 °C at 760 mmHg
Flash Point:	68.9 °C
Appearance:	Colorless to yellowish liquid
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	29.46000
LogP:	-0.37150

Synthetic route

: 107-21-1
ethylene glycol

: 106-96-7
propargyl bromide

: 3973-18-0
2-(prop-2-ynyloxy)ethanol

Conditions

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%

: 18938-38-0
propynoic aldehyde ethyleneglycol acetal

: 3973-18-0
2-(prop-2-ynyloxy)ethanol

Conditions

Conditions	Yield
With benzo[1,3,2]dioxaborole In benzene at 50℃;	67%

: 14846-79-8
ethylene glycol vinyl propargyl diether

: 3973-18-0
2-(prop-2-ynyloxy)ethanol

Conditions

Conditions	Yield
(hydrolysis);

: 107-21-1
ethylene glycol

: 624-65-7
2-propynyl chloride

: 3973-18-0
2-(prop-2-ynyloxy)ethanol

Conditions

Conditions	Yield
(i) Na, (ii) /BRN= 506005/; Multistep reaction;

: 39115-81-6
sodium propargylate

: 107-07-3
2-chloro-ethanol

: 3973-18-0
2-(prop-2-ynyloxy)ethanol

: 339531-56-5
tert-butyl dimethyl(2-(prop-2-yn-1-yloxy)ethoxy)silane

: 3973-18-0
2-(prop-2-ynyloxy)ethanol

Conditions

Conditions	Yield
With hydrogen fluoride In water; acetonitrile at 0℃; for 3h;

: 106-96-7
propargyl bromide

: 3973-18-0
2-(prop-2-ynyloxy)ethanol

Conditions

Conditions	Yield
In diethyl ether; water; ethylene glycol; toluene

: 5390-04-5
pent-1-yn-5-ol

: 540-51-2
2-bromoethanol

: 3973-18-0
2-(prop-2-ynyloxy)ethanol

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine at 60℃; Inert atmosphere;

: 3973-18-0
2-(prop-2-ynyloxy)ethanol

: 124-63-0
methanesulfonyl chloride

: 2‐(prop‐2‐yn‐1‐yloxy)ethyl methanesulfonate

Conditions

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;

: 3973-18-0
2-(prop-2-ynyloxy)ethanol

: 359-49-9
2,3,3,3-tetrafluoropropionic acid

: C8H8F4O3

Conditions

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%

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Specification

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