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ChemicalBook--->CAS DataBase List--->2117-11-5

2117-11-5

2117-11-5 Structure

2117-11-5 Structure
IdentificationMore
[Name]

4-PENTYN-2-OL
[CAS]

2117-11-5
[Synonyms]

(+/-)-4-PENTYN-2-OL
4-PENTYN-2-OL
4-PENTYNE-2-OL
(R,S)-4-PENTYN-2-OL
pent-4-yn-2-ol
4-PENTYN-2-OL, 98+%
4-Pentyn-2-ol, 97+%
1-Pentyne-4-ol
[EINECS(EC#)]

218-321-1
[Molecular Formula]

C5H8O
[MDL Number]

MFCD00004555
[Molecular Weight]

84.12
[MOL File]

2117-11-5.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless to pale yellow liquid
[Melting point ]

-24.1°C (estimate)
[Boiling point ]

126-127 °C (lit.)
[density ]

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

n20/D 1.438(lit.)
[Fp ]

99 °F
[storage temp. ]

Flammables area
[solubility ]

Miscible with chloroform and ethyl acetate.
[form ]

Liquid
[pka]

14.29±0.20(Predicted)
[color ]

Clear colorless to pale yellow
[Specific Gravity]

0.892
[BRN ]

1734245
[CAS DataBase Reference]

2117-11-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[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 .
[RIDADR ]

UN 1987 3/PG 3
[WGK Germany ]

3
[F ]

10
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29052990
Hazard InformationBack Directory
[Chemical Properties]

4-PENTYN-2-OL is clear colorless to pale yellow liquid
[Uses]

4-PENTYN-2-OL is used in QSAR studies pertaining to toxicity levels of organic compounds in environmental situations.
[Uses]

4-Pentyn-2-ol is used in Quantitative structure activity relationship (QSAR) studies pertaining to toxic levels of organic compounds in environmental situations. It is also used in the preparation of Fischer-type rhenium(III) benzoyldiazenido-2-oxacyclocarbenes. Further, it is used in the preparation of C-aryl glycosides by undergoing cycloaddition reaction with an aryl nitrile oxide.
[General Description]

4-Pentyn-2-ol, a secondary homopropargylic alcohol, is toxic with LC50 value of 160.
Spectrum DetailBack Directory
[Spectrum Detail]

4-PENTYN-2-OL(2117-11-5)MS
4-PENTYN-2-OL(2117-11-5)1HNMR
4-PENTYN-2-OL(2117-11-5)13CNMR
4-PENTYN-2-OL(2117-11-5)IR1
4-PENTYN-2-OL(2117-11-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Pentyn-2-ol, 97+%(2117-11-5)
[Alfa Aesar]

4-Pentyn-2-ol, 97%(2117-11-5)
[Sigma Aldrich]

2117-11-5(sigmaaldrich)
[TCI AMERICA]

4-Pentyn-2-ol,>95.0%(GC)(2117-11-5)
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