ChemicalBook--->CAS DataBase List--->105-31-7

105-31-7

105-31-7 Structure

105-31-7 Structure
IdentificationMore
[Name]

1-HEXYN-3-OL
[CAS]

105-31-7
[Synonyms]

1-HEXYN-3-OL
1-HEXYNE-3-OL
3-Hydroxyhexyne
Hexynol
1-Propylpropargyl alcohol
1-propylpropargylalcohol
3-Hydroxy-1-hexyne
Propylethinylcarbinol
Ethynyl n-propyl carbinol
hex-1-yn-3-ol
1-HEXYN-3-OL 95+%
[EINECS(EC#)]

203-286-7
[Molecular Formula]

C6H10O
[MDL Number]

MFCD00014408
[Molecular Weight]

98.14
[MOL File]

105-31-7.mol
Chemical PropertiesBack Directory
[Appearance]

Light-yellow liquid; strong odor. Slightly soluble in water; miscible with most hydrocarbons, chlorinated solvents, ketones, alcohols, and glycols.
[Melting point ]

-80°C
[Boiling point ]

118 °C
[density ]

0.873 g/mL at 25 °C
[refractive index ]

n20/D 1.431
[Fp ]

117 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[pka]

13.28±0.20(Predicted)
[color ]

Colorless to Light orange to Yellow
[BRN ]

1739419
[InChI]

InChI=1S/C6H10O/c1-3-5-6(7)4-2/h2,6-7H,3,5H2,1H3
[InChIKey]

LTFTWJYRQNTCHI-UHFFFAOYSA-N
[SMILES]

C#CC(O)CCC
[Uses]

Corrosion inhibitor against mineral acids, hightemperature oil-well-acidizing inhibitor.
[CAS DataBase Reference]

105-31-7(CAS DataBase Reference)
[EPA Substance Registry System]

1-Hexyn-3-ol (105-31-7)
Safety DataBack Directory
[Hazard Codes ]

T+
[Risk Statements ]

R10:Flammable.
R25:Toxic if swallowed.
R27:Very Toxic in contact with skin.
R41:Risk of serious damage to eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
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 2929 6.1/PG 1
[WGK Germany ]

3
[RTECS ]

MR0181000
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29052900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Dam. 1
Flam. Liq. 3
[Toxicity]

mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00219,
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Leaf alcohol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

hexynol(105-31-7).msds
Hazard InformationBack Directory
[Hazard]

Toxic by ingestion and inhalation, absorbed by skin. Probably flammable.
[Chemical Properties]

Light-yellow liquid; strong odor. Slightly soluble in water; miscible with most hydrocarbons, chlorinated solvents, ketones, alcohols, and glycols.
[General Description]

1-Hexyn-3-ol is a terminal propargylic alcohol. It undergoes microwave-accelerated coupling-isomerization reaction (MACIR) with (hetero)aryl halides to afford the corresponding enone.
Spectrum DetailBack Directory
[Spectrum Detail]

1-HEXYN-3-OL(105-31-7)MS
1-HEXYN-3-OL(105-31-7)1HNMR
1-HEXYN-3-OL(105-31-7)13CNMR
1-HEXYN-3-OL(105-31-7)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Hexyn-3-ol, 97%(105-31-7)
[Sigma Aldrich]

105-31-7(sigmaaldrich)
[TCI AMERICA]

1-Hexyn-3-ol,>95.0%(GC)(105-31-7)
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