3-Butyn-2-ol supplier | CasNO.2028-63-9

Name
3-Butyn-2-ol
EINECS 217-978-1
CAS No. 2028-63-9
Article Data49
CAS DataBase
Density 0.919 g/cm³
Solubility Completely miscible in water
Melting Point 12ºC
Formula C₄H₆O
Boiling Point 104 °C at 760 mmHg
Molecular Weight 70.091
Flash Point 25.6 °C
Transport Information UN 2929 6
Appearance clear colorless to light yellow liquid
Safety 26-45-36/37/39-16
Risk Codes 10-25-36/38-36/37/38-24/25
Molecular Structure
Hazard Symbols T, F
Synonyms (RS)-1-Butyn-3-ol;(?à)-3-Butyn-2-ol;(?à)-But-1-yn-3-ol;1-Butyn-3-ol;1-Methyl-2-propyn-1-ol;1-Methyl-2-propynyl alcohol;1-Methylpropargyl alcohol;2-Hydroxy-3-butyne;3-Hydroxy-1-butyne;3-Methyl-1-propyn-3-ol;DL-1-Butyn-3-ol;Methyl ethynyl carbinol;NSC 222370;a-Methylpropargyl alcohol;
PSA 20.23000
LogP 0.00040

Synthetic route

: 846539-19-3
trimethyl(4-{[(1-methylprop-2-yn-1-yl)oxy]methyl}benzyl)silane

A: 109088-53-1
p-<(trimethylsilyl)methyl>benzaldehyde

B: 2028-63-9
but-3-yn-2-ol

Conditions

Conditions	Yield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water at 20℃;	A n/a B 74%

: 75-07-0
acetaldehyde

: 74-86-2
acetylene

: 2028-63-9
but-3-yn-2-ol

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 15℃;	10%
With potassium hydroxide; Dimethoxymethane; sodium amide
With potassium hydroxide; 2-methoxy-ethanol; sodium amide

: 624-67-9
Propargylic aldehyde

: 75-16-1
methylmagnesium bromide

: 2028-63-9
but-3-yn-2-ol

Conditions

Conditions	Yield
With diethyl ether

: 198014-16-3
2-bromo-1-buten-3-ol

: 2028-63-9
but-3-yn-2-ol

Conditions

Conditions	Yield
With potassium hydroxide

: 4301-15-9
ethynyldimagnesium dibromide

: 75-07-0
acetaldehyde

: 2028-63-9
but-3-yn-2-ol

Conditions

Conditions	Yield
With diethyl ether; ethanol

: 1066-26-8
sodium acetylide

: 75-07-0
acetaldehyde

: 2028-63-9
but-3-yn-2-ol

Conditions

Conditions	Yield
at -5℃;
at -5℃;
With ammonia

: 60-29-7
diethyl ether

: 925-90-6
ethylmagnesium bromide

: 75-07-0
acetaldehyde

: 74-86-2
acetylene

: 2028-63-9
but-3-yn-2-ol

...Expand

: 75-07-0
acetaldehyde

: 74-86-2
acetylene

A: 3031-66-1
3-hexyn-2,5-diol

B: 2028-63-9
but-3-yn-2-ol

Conditions

Conditions	Yield
With copper acetylenide upon Fuller's earth; water at 120 - 125℃; under 11400 Torr;
With Fuller's Earth; water; copper(I) monacetylide at 125℃; under 11032.6 Torr; Gemisch von zwei Formen;
With Fuller's Earth; water; copper(I) monacetylide at 125℃; under 11032.6 Torr; Gemisch von zwei Formen;
With copper acetylenide upon Fuller's earth; water at 120 - 125℃; under 11400 Torr;

...Expand

: 60-29-7
diethyl ether

: 925-90-6
ethylmagnesium bromide

: 74-86-2
acetylene

: 2028-63-9
but-3-yn-2-ol

Conditions

Conditions	Yield
anschl. mit Acetaldehyd;

...Expand

: 925-90-6
ethylmagnesium bromide

: 74-86-2
acetylene

: 2028-63-9
but-3-yn-2-ol

Conditions

Conditions	Yield
With diethyl ether nachfolgende Einw. von Acetaldehyd;

: 198014-16-3
2-bromo-1-buten-3-ol

aqueous KOH-solution: aqueous KOH-solution

: 2028-63-9
but-3-yn-2-ol

: 1423-60-5
methyl ethynyl ketone

: 2028-63-9
but-3-yn-2-ol

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol at 0℃; for 1h;

: 75-07-0
acetaldehyde

: 70277-75-7
lithium acetylide

: 2028-63-9
but-3-yn-2-ol

: 75-07-0
acetaldehyde

: 4301-14-8
acetylenemagnesium bromide

: 2028-63-9
but-3-yn-2-ol

Conditions

Conditions	Yield
In tetrahydrofuran at 0 - 20℃;
Stage #1: acetaldehyde; acetylenemagnesium bromide In tetrahydrofuran at -20 - 20℃; Inert atmosphere; Stage #2: With ammonium chloride In tetrahydrofuran at 0℃; Inert atmosphere;
In tetrahydrofuran at 0℃; for 5h;
In tetrahydrofuran at -78 - 20℃; for 2.5h; Inert atmosphere;

: 103253-60-7, 121522-26-7, 121522-27-8, 6999-19-5
4-trimethylsilyl-3-butyn-2-ol

: 2028-63-9
but-3-yn-2-ol

Conditions

Conditions	Yield
With potassium carbonate In methanol at 20℃; for 2h; Inert atmosphere;

: 3913-65-3
2-hydroxypropanal

: 90965-06-3
dimethyl 1-(1-diazo-2-oxopropyl)phosphonate

: 2028-63-9
but-3-yn-2-ol

Conditions

Conditions	Yield
With potassium carbonate In methanol at 20℃; for 5.5h; Seyferth-Gilbert Homologation;

: 2028-63-9
but-3-yn-2-ol

: 1423-60-5
methyl ethynyl ketone

Conditions

Conditions	Yield
With dihydrogen peroxide In toluene at 70℃; for 8.5h; Reagent/catalyst;	100%
With titanium(IV) oxide; oxygen at 29.84℃; under 760.051 Torr; for 24h; Sealed tube; Irradiation;	77%
With chromium(VI) oxide; sulfuric acid at 2 - 10℃; under 30 Torr; for 3h;	38%

: 2028-63-9
but-3-yn-2-ol

: 2914-57-0
1-iodo-buta-1,2-diene

Conditions

Conditions	Yield
With 1-iodo-N,N,2-trimethylprop-1-en-1-amine In dichloromethane 1.) 0 deg C; 2.) rt., 4 days;	100%
With triphenyl phosphite methiodide In N,N-dimethyl-formamide
Stage #1: but-3-yn-2-ol With n-butyllithium In tetrahydrofuran at -78℃; for 0.0833333h; Inert atmosphere; Stage #2: With methanesulfonyl chloride In tetrahydrofuran at -78℃; for 0.5h; Inert atmosphere; Stage #3: With copper(l) iodide; lithium iodide In tetrahydrofuran at -78 - 20℃; Inert atmosphere;

: 124-63-0
methanesulfonyl chloride

: 2028-63-9
but-3-yn-2-ol

: 59967-06-5
1-methylprop-2-ynyl methanesulfonate

Conditions

Conditions	Yield
With triethylamine In dichloromethane for 1h; Ambient temperature;	100%
With triethylamine In dichloromethane at 0℃; for 3h; Inert atmosphere;	95%
With triethylamine In dichloromethane at 0℃; for 0.25h;	93%

: 2028-63-9
but-3-yn-2-ol

: 58479-61-1
tert-butylchlorodiphenylsilane

: 247923-45-1
tert-butyl-(1-methyl-prop-2-ynyloxy)diphenylsilane

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide at 25℃; for 12h;	100%
With dmap; triethylamine In tetrahydrofuran at 20℃; for 18h; Inert atmosphere;	94%
With 1H-imidazole In tetrahydrofuran at 20℃; for 3h; Inert atmosphere;	83%
With 1H-imidazole In N,N-dimethyl-formamide at 20℃;
With 1H-imidazole In dichloromethane at 0 - 20℃; for 8h;

: 624-31-7
4-tolyl iodide

: 2028-63-9
but-3-yn-2-ol

: 79756-90-4
4-(4-methylphenyl)but-3-yn-2-ol

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine at 20℃; for 5.5h; Sonogashira coupling; Inert atmosphere;	100%
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide In dimethyl sulfoxide; triethylamine at 40 - 45℃; for 10.3h;	91%
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 7h; Sonogashira coupling;	87%

: 100-52-7
benzaldehyde

: 2028-63-9
but-3-yn-2-ol

: 135468-12-1
1-phenyl-2-pentyne-1,4-diol

Conditions

Conditions	Yield
Stage #1: but-3-yn-2-ol With methyllithium In tetrahydrofuran; diethyl ether at -50℃; for 2h; Stage #2: benzaldehyde In tetrahydrofuran; diethyl ether at -50 - 20℃;	100%
Stage #1: but-3-yn-2-ol With n-butyllithium In tetrahydrofuran at -78℃; for 2h; Stage #2: benzaldehyde In tetrahydrofuran at -78 - 20℃; Further stages.;	82%
Stage #1: but-3-yn-2-ol With n-butyllithium In diethyl ether at -78℃; for 2h; Inert atmosphere; Stage #2: benzaldehyde In diethyl ether at -78 - 20℃; Inert atmosphere;	82%
With n-butyllithium In tetrahydrofuran at -78 - 20℃;
Stage #1: but-3-yn-2-ol With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Schlenk technique; Stage #2: benzaldehyde In tetrahydrofuran; hexane at -78 - 20℃; for 24h; Schlenk technique;

: 13154-24-0
triisopropylsilyl chloride

: 2028-63-9
but-3-yn-2-ol

: 868764-60-7
3-(triisopropylsilyl)oxybut-1-yne

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 15h;	100%

: 22445-41-6
3,5-dimethylphenyl iodide

: 2028-63-9
but-3-yn-2-ol

: 1020212-00-3
4-(3,5-dimethylphenyl)-3-butyn-2-ol

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine at 20℃; for 4h; Sonogashira coupling; Inert atmosphere;	100%
With triethylamine; copper(l) iodide; tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl-formamide at 100℃; for 0.166667h; Sonogashira reaction; microwave irradiation;

: [κ1(C(1),C(4))-C(CO2Me)=C(CO2Me)C(CO2Me)=C(CO2Me)](PPh3)2IrCl

: 2028-63-9
but-3-yn-2-ol

: 167385-31-1
[κ1(C(1),C(4))-C(CO2Me)=C(CO2Me)C(CO2Me)=C(CO2Me)](PPh3)2Ir(CO)(E-CH=CHMe)

Conditions

Conditions	Yield
In dichloromethane; water two phases, 24 h at 25°C;	100%
In chloroform; water in air, Ir compd. and ligand (1:10 molar ratio) in aq. chloroform, stirred at 23°C for 15 h; evapd., recrystd. (benzene/hexane);	95%
In dichloromethane-d2; water Ir compd. and ligand for 21 h; NMR;

: 24345-72-0
1,4-diazidobutane

: 2028-63-9
but-3-yn-2-ol

: 1250839-21-4
C12H20N6O2

Conditions

Conditions	Yield
With copper(I) bromide In N,N-dimethyl-formamide at 50℃; for 12h; Huigen-type cycloaddition; regioselective reaction;	100%

: C23H26I2O4

: 2028-63-9
but-3-yn-2-ol

: C31H36O6

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In tetrahydrofuran Sonogashira Cross-Coupling;	100%

: 2028-63-9
but-3-yn-2-ol

: 2524-64-3
chlorophosphoric acid diphenyl ester

: but-3-yn-2-yl diphenyl phosphate

Conditions

Conditions	Yield
With triethylamine; trifluoroacetic acid In dichloromethane at 0 - 20℃; Inert atmosphere;	100%

: 2028-63-9
but-3-yn-2-ol

: 1499-21-4
Diphenylphosphinic chloride

: 23834-42-6
O-1-methyl-2-propynyl phenylphenylphosphinate

Conditions

Conditions	Yield
With triethylamine; trifluoroacetic acid In dichloromethane at 0 - 20℃; Inert atmosphere;	100%

: 119-61-9
benzophenone

: 2028-63-9
but-3-yn-2-ol

: 783339-46-8
(R/S)-1,1-diphenylpent-2-yne-1,4-diol

Conditions

Conditions	Yield
Stage #1: but-3-yn-2-ol With n-butyllithium In tetrahydrofuran; hexane at -40℃; for 0.333333h; Inert atmosphere; Stage #2: benzophenone With cerium(III) chloride In tetrahydrofuran; hexane Reagent/catalyst;	100%
Stage #1: but-3-yn-2-ol With n-butyllithium In tetrahydrofuran; hexane at -40℃; for 0.5h; Inert atmosphere; Stage #2: benzophenone In tetrahydrofuran; hexane Inert atmosphere;	87%

: 109-92-2
ethyl vinyl ether

: 2028-63-9
but-3-yn-2-ol

: 5967-11-3
2-(3-oxa-pent-2-yloxy)-but-3-yne

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In dichloromethane at 23℃; for 1h;	99%
With pyridinium p-toluenesulfonate In dichloromethane at 23℃; for 1h;	99%
With pyridinium p-toluenesulfonate In dichloromethane for 1h;	93%
With hydrogenchloride for 2h;	83%
With hydrogenchloride

: 2028-63-9
but-3-yn-2-ol

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: 17869-76-0, 100244-12-0, 117924-32-0
3-(trimethylsiloxy)but-1-yne

Conditions

Conditions	Yield
at 110℃; for 12h;	99%
at 110℃; for 16h;	99%
for 0.166667h; microwave irradiation;	95%

: 15226-74-1, 61091-28-9, 61117-58-6
dicobalt octacarbonyl

: 2028-63-9
but-3-yn-2-ol

: 40687-04-5, 172511-75-0
(μ-η(2)-η(2)-HC*CCH(CH3)OH)Co2(CO)6

Conditions

Conditions	Yield
In dichloromethane at 20℃; Inert atmosphere;	99%
In diethyl ether N2; soln. stirred for 0.5 h until no CO evolution was no longer visible; evapn., flash chromy. (elution with hexane to remove Co impurities); elution with 20/1 hexane/ethylacetate, elem. anal.;	84%
In not given reacting Co2(CO)8 soln. with alkyne until CO formation is completed; room temp., under N2;
In not given reacting Co2(CO)8 soln. with alkyne until CO formation is completed; room temp., under N2;

: 1269806-61-2
ethane-1,2-diyl bis(2-(2-iodophenyl)acetate)

: 2028-63-9
but-3-yn-2-ol

: 1269806-66-7
ethane-1,2-diyl bis(2-(2-(3-hydroxybut-1-ynyl)phenyl)acetate)

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In tetrahydrofuran Sonogashira coupling;	99%

: 1269806-62-3
butane-1,4-diyl bis(2-(2-iodophenyl)acetate)

: 2028-63-9
but-3-yn-2-ol

: 1269806-71-4
butane-1,2-diyl bis(2-(2-(3-hydroxybut-1-ynyl)phenyl)acetate)

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In tetrahydrofuran Sonogashira coupling;	99%

: 108-98-5
thiophenol

: 2028-63-9
but-3-yn-2-ol

: 13023-53-5, 132187-18-9, 132187-19-0
3-phenylsulfanyl-butan-2-one

Conditions

Conditions	Yield
Stage #1: but-3-yn-2-ol With palladium diacetate; gold(I) chloride In nitromethane at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: thiophenol In nitromethane at 80℃; for 8h; Solvent; Time; Inert atmosphere; regioselective reaction;	99%

: 108-98-5
thiophenol

: 2028-63-9
but-3-yn-2-ol

: 77202-27-8
3-(phenylthio)-3-buten-2-ol

Conditions

Conditions	Yield
Stage #1: but-3-yn-2-ol With palladium diacetate; gold(I) chloride In nitromethane at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: thiophenol In nitromethane at 60℃; for 3h; Inert atmosphere; regioselective reaction;	99%
Stage #1: but-3-yn-2-ol With palladium diacetate In nitromethane at 20℃; for 0.0833333h; Microwave irradiation; Sealed tube; Stage #2: thiophenol In nitromethane at 80℃; for 16h; regioselective reaction;	51%

: 19573-22-9
cyclohexyl azide

: 2028-63-9
but-3-yn-2-ol

: 1-cyclohexyl-4-(1-hydroxyethyl)-1,2,3-triazole

Conditions

Conditions	Yield
With 2-{4-[(dimethylamino)methyl]-1,2,3-triazol-1-yl}cyclohexan-1-ol; copper(II) sulfate; sodium L-ascorbate In ethanol; water at 20℃; for 1.5h; Reagent/catalyst; Huisgen Cycloaddition;	99%
With 2-{4-[(dimethylamino)methyl]-1,2,3-triazolyl}cyclohexan-1-ol; copper(II) sulfate; sodium L-ascorbate In ethanol; water at 20℃; for 1.5h;	99%

: 4530-20-5
BOC-glycine

: 2028-63-9
but-3-yn-2-ol

: 537710-07-9
N-Boc-glycine-2-butyn-1-ester

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 16h; Inert atmosphere;	99%

: 90-14-2
1-Iodonaphthalene

: 2028-63-9
but-3-yn-2-ol

: 4-(naphthalen-1-yl)but-3-yn-2-ol

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In tetrahydrofuran at 0 - 20℃; for 16h; Sonogashira Cross-Coupling; Inert atmosphere;	99%
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	98%
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In N,N-dimethyl-formamide at 20℃;

: 34837-55-3
Phenylselenyl bromide

: 2028-63-9
but-3-yn-2-ol

: 104829-02-9
4-Phenylselanyl-but-3-yn-2-ol

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane at 0℃; for 1h;	98%

: 348-52-7
1-Fluoro-2-iodobenzene

: 2028-63-9
but-3-yn-2-ol

: 893746-80-0
4-(2-fluorophenyl)but-3-yn-2-ol

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	98%
With triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide at 60℃;

: 2028-63-9
but-3-yn-2-ol

: 586-78-7
para-nitrophenyl bromide

: 111887-20-8
4-(4'-nitrophenyl)-3-butyn-2-ol

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In tetrahydrofuran at 80℃; Inert atmosphere; Schlenk technique;	98%
With triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide at 80℃;

: 3437-95-4
2-Iodothiophene

: 2028-63-9
but-3-yn-2-ol

: 422308-84-7
(+/-)-4-(thiophen-2-yl)but-3-yn-2-ol

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	98%
With copper(l) iodide; ethanolamine; triphenylphosphine; palladium on activated charcoal In water at 80℃; for 8h; Sonogashira coupling;	90%
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In tetrahydrofuran at 60℃; Inert atmosphere; Schlenk technique;	84%
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In N,N-dimethyl-formamide at 20℃;
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine at 20℃; for 12h;

: 1018387-42-2
(Z)-{N-[4-(2-(N'-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-4-methylbenzenesulfonamido)methylallyloxy]but-2-enyl}-2-nitrobenzenesulfonamide

: 2028-63-9
but-3-yn-2-ol

: 1018389-92-8
C35H32F17N3O7S2

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 20℃; for 1h; Fukuyama-Mitsunobu reaction;	98%

: 625-95-6
3-Iodotoluene

: 2028-63-9
but-3-yn-2-ol

: 265660-98-8
4-(m-methylphenyl)-3-butyn-2-ol

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	98%
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide In dimethyl sulfoxide; triethylamine at 40 - 45℃; for 10.5h;	89%
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In N,N-dimethyl-formamide at 20℃;
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine at 20℃; for 12h;

3-Butyn-2-ol Consensus Reports

Reported in EPA TSCA Inventory.

3-Butyn-2-ol Specification

The IUPAC name of 1-Ethynylethanol is but-3-yn-2-ol. With the CAS registry number 2028-63-9, it is also named as 1-Methyl-2-propynyl alcohol. The product's categories are Aliphatics; Acetylenes; Acetylenic Alcohols & Their Derivatives; Alkynes; Organic Building Blocks; Terminal. It is clear colorless to light yellow liquid which is highly toxic and flammable by fire, heat and oxidants. When buring it will produce irritant fumes. So the storage environment should be ventilate, low-temperature and dry. Keep 1-Ethynylethanol separate from oxidant.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.84; (8)ACD/KOC (pH 7.4): 22.84; (9)#H bond acceptors: 1 ; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.435; (13)Molar Refractivity: 19.9 cm³; (14)Molar Volume: 76.2 cm³; (15)Polarizability: 7.88×10^-24 cm³; (16)Surface Tension: 34.2 dyne/cm; (17)Enthalpy of Vaporization: 39.99 kJ/mol; (18)Vapour Pressure: 17.3 mmHg at 25°C ; (19)Exact Mass: 70.041865 ; (20)MonoIsotopic Mass: 70.041865 ; (21)Topological Polar Surface Area: 20.2 ; (22)Heavy Atom Count: 5 ; (23)Complexity: 57.3.

Uses of 1-Ethynylethanol: It reacts with acetyl chloride to get acetic acid-(1-methyl-prop-2-ynyl ester). This reaction needs reagent pyridine.

When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed and irritating to eyes, respiratory system and skin. 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 protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:C#CC(O)C
2. InChI:InChI=1/C4H6O/c1-3-4(2)5/h1,4-5H,2H3
3. InChIKey:GKPOMITUDGXOSB-UHFFFAOYAW

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	30mg/kg (30mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.

Product Name

3-Butyn-2-ol

Synthetic route

3-Butyn-2-ol Consensus Reports

3-Butyn-2-ol Specification

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