ChemicalBook--->CAS DataBase List--->927-74-2

927-74-2

927-74-2 Structure

927-74-2 Structure
IdentificationMore
[Name]

3-Butyn-1-ol
[CAS]

927-74-2
[Synonyms]

(2-HYDROXYETHYL)ACETYLENE
3-BUTYN-1-OL
3-BUTYNE-1-OL
4-BUTYNE-1-OL
BETA-ETHYNYLETHANOL
BUT-3-YN-1-OL
1-Butyn-4-ol
3-butyn-1-0l
3-Butynol
3-Butynyl alcohol
4-Hydroxy-1-butyne
HCequivCCH2CH2OH
3-Bytyn-1-ol
3-Butyn-1-ol, 98+%
β-Ethynylethanol
4-HYDROXY-BUTYNE
Homopropargyl alcohol
[EINECS(EC#)]

213-161-9
[Molecular Formula]

C4H6O
[MDL Number]

MFCD00002955
[Molecular Weight]

70.09
[MOL File]

927-74-2.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

-63.6 °C (lit.)
[Boiling point ]

128.9 °C (lit.)
[density ]

0.926 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.441(lit.)
[Fp ]

97 °F
[storage temp. ]

Flammables area
[solubility ]

Miscible with alcohols and organic solvents. Immiscible with aliphatic hydrocarbon solvents.
[form ]

Liquid
[pka]

14.22±0.10(Predicted)
[color ]

Clear colorless to light yellow
[Specific Gravity]

0.972
[Stability:]

Stable. Substances to be avoided include oxidizing agents, acids and acid anhydrides, copper and copper alloys. Flammable.
[Detection Methods]

GC,NMR
[BRN ]

773710
[InChI]

1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2
[InChIKey]

OTJZCIYGRUNXTP-UHFFFAOYSA-N
[SMILES]

OCCC#C
[LogP]

0.130 (est)
[CAS DataBase Reference]

927-74-2(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Butyn-1-ol(927-74-2)
[EPA Substance Registry System]

927-74-2(EPA Substance)
Questions And AnswerBack Directory
[Synthesis]

A solution of tetrahydropyranyl ether (1.0 mmol) in methanol (10 mL) was treated with Zn(OTf)₂ (0.1 mmol). The mixture was stirred at room temperature for 35 minutes. After the reaction was complete (TLC analysis), the solvent was removed under reduced pressure. The residue obtained was treated with EtOAc (20 mL). The organic layer was washed with water (10 mL) and brine (10 mL). The organic layer was dried with Na₂SO₄. The product was evaporated under reduced pressure. The product was purified by rapid column chromatography (100-200 mesh silica gel, EtOAc petroleum ether) to give the title compound 3-butyn-1-ol.


Synthetic Route of 3-Butyn-1-ol

Figure 3. Synthetic Route of Butyn-1-ol

Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H315-H319-H335
[Precautionary statements ]

P210-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,F
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1986 3/PG 3
[WGK Germany ]

3
[RTECS ]

ES0710000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29052990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Fexofenadine-->2-(BUT-3-YNYLOXY)ETHANAMINE-->BUT-3-YN-1-AMINE-->Tulipalin A-->2-METHOXYTETRAHYDROPYRAN-->4-(TRIETHYLSILYL)-3-BUTYN-1-OL-->4-TRIMETHYLSILYL-3-BUTYN-1-OL-->4-PHENYL-3-BUTYN-1-OL-->3-TETRADECYN-1-OL-->3-Butynyl p-toluenesulfonate-->4-(Prop-2-yn-1-yloxy)but-1-yne
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Butyn-1-ol(927-74-2).msds
Hazard InformationBack Directory
[Chemical Properties]

colourless liquid
[Uses]

(3-Butyn-1-ol) Alkynyl substrate used in a study of a palladium-catalyzed coupling with β-tetrionic acid bromide leading to alkynyl substituted furanones in good yield.1
[Definition]

ChEBI: A terminal acetylenic compound that is but-1-yne with one of the methyl hydrogens substituted by a hydroxy group.
[General Description]

The enthalpies of combustion and vaporization of 3-butyn-1-ol is measured by static bomb combustion calorimetry and correlation gas chromatography techniques.
[IC 50]

Human Endogenous Metabolite
Spectrum DetailBack Directory
[Spectrum Detail]

3-Butyn-1-ol(927-74-2)MS
3-Butyn-1-ol(927-74-2)1HNMR
3-Butyn-1-ol(927-74-2)13CNMR
3-Butyn-1-ol(927-74-2)IR1
3-Butyn-1-ol(927-74-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Butyn-1-ol, 97%(927-74-2)
[Alfa Aesar]

3-Butyn-1-ol, 98+%(927-74-2)
[Sigma Aldrich]

927-74-2(sigmaaldrich)
[TCI AMERICA]

3-Butyn-1-ol,>97.0%(GC)(927-74-2)
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