ChemicalBook--->CAS DataBase List--->4187-86-4

4187-86-4

4187-86-4 Structure

4187-86-4 Structure
IdentificationMore
[Name]

1-PENTYN-3-OL
[CAS]

4187-86-4
[Synonyms]

1-PENTYN-3-OL
ETHYL ETHYNYL CARBINOL
PENT-1-YN-3-OL
Pentynol
1-Pentyn-3-ol,98%
[EINECS(EC#)]

224-063-0
[Molecular Formula]

C5H8O
[MDL Number]

MFCD00004572
[Molecular Weight]

84.12
[MOL File]

4187-86-4.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR YELLOW LIQUID
[Melting point ]

-24.1°C (estimate)
[Boiling point ]

124 °C
[density ]

0.975 g/mL at 25 °C(lit.)
[vapor density ]

1 (vs air)
[refractive index ]

n20/D 1.434(lit.)
[Fp ]

85 °F
[storage temp. ]

Flammables area
[form ]

clear liquid
[pka]

13.28±0.20(Predicted)
[color ]

Colorless to Yellow to Green
[Water Solubility ]

Slightly soluble in water.
[BRN ]

1098409
[InChI]

1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3
[InChIKey]

LBSKEFWQPNVWTP-UHFFFAOYSA-N
[SMILES]

CCC(O)C#C
[CAS DataBase Reference]

4187-86-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R10:Flammable.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

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

UN 1986 3/PG 3
[WGK Germany ]

3
[RTECS ]

SC4758500
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29052900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 3
Hazard InformationBack Directory
[Chemical Properties]

CLEAR YELLOW LIQUID
[Uses]

1-Pentyn-3-ol is used as a pharmaceutical intermediate.
Spectrum DetailBack Directory
[Spectrum Detail]

1-PENTYN-3-OL(4187-86-4)MS
1-PENTYN-3-OL(4187-86-4)1HNMR
1-PENTYN-3-OL(4187-86-4)13CNMR
1-PENTYN-3-OL(4187-86-4)IR1
1-PENTYN-3-OL(4187-86-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Pentyn-3-ol, 98%(4187-86-4)
[Sigma Aldrich]

4187-86-4(sigmaaldrich)
[TCI AMERICA]

1-Pentyn-3-ol,>97.0%(GC)(4187-86-4)
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