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2028-63-9

2028-63-9 Structure

2028-63-9 Structure
IdentificationMore
[Name]

3-Butyn-2-ol
[CAS]

2028-63-9
[Synonyms]

(R)-(+)-1-BUTYN-3-OL
(R)-(+)-3-BUTYN-2-OL
(R)-3-BUTYN-2-OL
(R)-3-BUTYNE-2-OL
1-Ethynylethanol
1-Methyl-2-propynyl alcohol
1-Methylpropargyl alcohol
3-butyn-2-0l
3-butyn-2-olsolution
3-Hydroxy-1-butyne
alpha-Methylpropargyl alcohol
but-3-yn-2-ol
HCequivCCH(CH3)OH
1-Butyn-3-ol (55% in water)
Butynol
3-Bytyn-2-ol
3-BUTYN-2-OL 98%
3-BUTYN-2-OL SOLUTION, ~55% IN WATER
3-BUTYNE-2-OL 99%
3-BUTYN-2-OL (55% SOLUTION IN WATER) ABOUT 55%
[EINECS(EC#)]

217-978-1
[Molecular Formula]

C4H6O
[MDL Number]

MFCD00211237
[Molecular Weight]

70.09
[MOL File]

2028-63-9.mol
Questions And AnswerBack Directory
[Synthesis]

The ketone (5.00 mmol) was dissolved in 50 mL of THF in a 50 mL round-bottom flask. The mixture was cooled to -78°C. At -78°C, magnesium acetylenyl chloride (5.5 mL, 5.5 mmol, 0.6 M toluene solution) was added dropwise to the mixture. The mixture was transferred to 0°C. The mixture was stirred for 1.5 hours. A saturated aqueous solution of NH4Cl (10 mL) was added to the mixture. The entire mixture was extracted with EtOAc (20 mL × 3). The combined organic layers were washed with brine (10 mL). The combined organic layers were dried with Na2SO4. The combined organic layers were filtered. The combined organic layers were concentrated under vacuum. The residue was purified by silica gel column chromatography using petroleum ether and ethyl acetate as eluents to give 3-butyn-2-ol.


Synthetic Route of 3-Butyn-2-ol

Figure 3. Synthetic Route of Butyn-2-ol

Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

-1.5°C
[alpha ]

0°(c=1, CHCl3)
[Boiling point ]

66-67 °C/150 mmHg (lit.)
[density ]

0.950 g/mL at 20 °C
[vapor pressure ]

11hPa at 20℃
[refractive index ]

n20/D 1.426(lit.)
[Fp ]

78 °F
[storage temp. ]

Flammables area
[Water Solubility ]

Completely miscible in water
[form ]

Liquid
[pka]

13.28±0.20(Predicted)
[color ]

Clear colorless to light yellow
[Specific Gravity]

0.894
[BRN ]

635722
[InChI]

1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3
[InChIKey]

GKPOMITUDGXOSB-UHFFFAOYSA-N
[SMILES]

CC(O)C#C
[LogP]

1.1 at 35℃
[CAS DataBase Reference]

2028-63-9(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Butyn-2-ol(2028-63-9)
[EPA Substance Registry System]

2028-63-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)Skull and Crossbones (GHS06)
GHS02,GHS05,GHS06
[Signal word ]

Danger
[Hazard statements ]

H225-H300+H310+H330-H315-H318-H412
[Precautionary statements ]

P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
[Hazard Codes ]

T,F
[Risk Statements ]

R10:Flammable.
R25:Toxic if swallowed.
R36/38:Irritating to eyes and skin .
R36/37/38:Irritating to eyes, respiratory system and skin .
R24/25:Toxic in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 2929 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

ES0709800
[F ]

10
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29052900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 2 Dermal
Acute Tox. 2 Inhalation
Acute Tox. 2 Oral
Aquatic Chronic 3
Eye Dam. 1
Flam. Liq. 2
Self-react. G
Skin Irrit. 2
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

3-Butyn-2-ol is an intermediate used to prepare aminoindanes with inhibitory activity toward acetylcholine esterase and monoamine oxidase useful as anti-Alzheimer's agents.
[Flammability and Explosibility]

Flammable
Spectrum DetailBack Directory
[Spectrum Detail]

3-Butyn-2-ol(2028-63-9)MS
3-Butyn-2-ol(2028-63-9)1HNMR
3-Butyn-2-ol(2028-63-9)13CNMR
3-Butyn-2-ol(2028-63-9)IR1
3-Butyn-2-ol(2028-63-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Butyn-2-ol, 97%(2028-63-9)
[Alfa Aesar]

()-3-Butyn-2-ol, 98%(2028-63-9)
[Sigma Aldrich]

2028-63-9(sigmaaldrich)
[TCI AMERICA]

3-Butyn-2-ol,>98.0%(GC)(2028-63-9)
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