ChemicalBook--->CAS DataBase List--->14916-79-1

14916-79-1

14916-79-1 Structure

14916-79-1 Structure
IdentificationMore
[Name]

3-HEPTYN-1-OL
[CAS]

14916-79-1
[Synonyms]

3-HEPTYN-1-OL
3-HEPTYNE-1-OL
TIMTEC-BB SBB008799
hept-3-yn-1-ol
[EINECS(EC#)]

238-985-6
[Molecular Formula]

C7H12O
[MDL Number]

MFCD00039551
[Molecular Weight]

112.17
[MOL File]

14916-79-1.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

-20.62°C (estimate)
[Boiling point ]

80-82 °C15 mm Hg
[density ]

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

n20/D 1.456
[Fp ]

74 °C
[storage temp. ]

Inert atmosphere,Room Temperature
[pka]

14.33±0.10(Predicted)
[Specific Gravity]

0.884
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents, halogens.
[BRN ]

1737178
[InChI]

InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h8H,2-3,6-7H2,1H3
[InChIKey]

PSWHODJVUOXHKA-UHFFFAOYSA-N
[SMILES]

C(O)CC#CCCC
[CAS DataBase Reference]

14916-79-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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

S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

1987
[WGK Germany ]

3
[HS Code ]

29052900
Hazard InformationBack Directory
[Chemical Properties]

colourless liquid
[Uses]

3-Heyptyn-1-ol was used in preparation and covalent modification of selective COX-2 inactivators.
Spectrum DetailBack Directory
[Spectrum Detail]

3-HEPTYN-1-OL(14916-79-1)MS
3-HEPTYN-1-OL(14916-79-1)1HNMR
3-HEPTYN-1-OL(14916-79-1)IR1
3-HEPTYN-1-OL(14916-79-1)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Heptyn-1-ol, 98%(14916-79-1)
[Alfa Aesar]

3-Heptyn-1-ol, 98%(14916-79-1)
[TCI AMERICA]

3-Heptyn-1-ol,>97.0%(GC)(14916-79-1)
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