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ChemicalBook--->CAS DataBase List--->917-92-0

917-92-0

917-92-0 Structure

917-92-0 Structure
IdentificationMore
[Name]

3,3-Dimethyl-1-butyne
[CAS]

917-92-0
[Synonyms]

1,2-DIMETHYL-1,4-CYCLOHEXADIENE
1-BUTYNE, 3,3-DIMETHYL-
3,3-DIMETHYL-1-BUTYNE
3,3-DIMETHYLBUTYNE-1
T-BUTYL ACETYLENE
TERT-BUTYLACETYLENE
(CH3)3CCequivCH
3,3,3-Trimethylpropyne
3,3-dimethyl-but-1-yne
3,3-Dimethylbutyne
3,3-DIMETHYL-1-BUTYNE(INTERMEDIATE OF TERBINAFINE)
1-Butyne, 3,3-dimethyl-(6CI, 8CI, 9CI)
3,3-DIMETHYL-1-BUTYNE(TERT-BUTYLACETYLENE)
3.3-DIMETHYL-1-BUTYNE 97+%
TERT-BUTYLETHYNE
Neohexyne
1-(tert-Butyl)ethyne
[EINECS(EC#)]

213-035-3
[Molecular Formula]

C6H10
[MDL Number]

MFCD00049181
[Molecular Weight]

82.14
[MOL File]

917-92-0.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

-78 °C (lit.)
[Boiling point ]

37-38 °C (lit.)
[density ]

0.667 g/mL at 25 °C(lit.)
[vapor pressure ]

7.88 psi ( 20 °C)
[refractive index ]

n20/D 1.374(lit.)
[Fp ]

<−30 °F
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Liquid
[color ]

Clear colorless
[PH]

7.51 at 24.8℃ and 10g/L
[Stability:]

Stable, but highly flammable. Readily forms explosive mixtures with air. Note low flash point.
[Water Solubility ]

Miscible with chloroform, benzene and toluene. Immiscible with water.
[BRN ]

1697100
[CAS DataBase Reference]

917-92-0(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Butyne, 3,3-dimethyl-(917-92-0)
Safety DataBack Directory
[Hazard Codes ]

F+,Xi
[Risk Statements ]

R12:Extremely Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S3:Keep in a cool place .
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S33:Take precautionary measures against static discharges .
S7/9:Keep container tightly closed and in a well-ventilated place .
[RIDADR ]

UN 3295 3/PG 2
[WGK Germany ]

3
[HazardClass ]

3
[PackingGroup ]

I
[HS Code ]

29012990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1,1-DICHLORO-3,3-DIMETHYLBUTANE
[Preparation Products]

Terbinafine-->(3,3-DIMETHYL-1-BUTYNE)DICOBALT HEXACARBONYL-->1,1-DIBROMOPINACOLONE-->2-TERT-BUTYL-1H-INDOLE-->2,7-DIMETHYL-3,5-OCTADIYN-2,7-DIOL-->ETHYL 5-(TERT-BUTYL)-2-METHYL-3-FUROATE-->2-tert-butylfuMaronitrile-->4,4-diMethyl-1,1-diphenyl-pent-2-yn-1-ol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,3-Dimethyl-1-butyne(917-92-0).msds
Hazard InformationBack Directory
[Chemical Properties]

colourless liquid
[Uses]

3,3-Dimethyl-1-butyne is used as an active pharmaceutical intermediate for terbinafine. It is also used in the preparation of 2,2,7,7-tetramethyl-octa-3,5-diyne. Further, it is used in the synthesis of erythro and threo isomers of B-(3,3-dimethyl-1,2-dideuterio-1-butyl)-9-BBN by hydroboration-deuteronolysis-hydroboration sequence.
[Synthesis Reference(s)]

Tetrahedron Letters, 25, p. 2089, 1984 DOI: 10.1016/S0040-4039(01)81168-0
[Hazard]

3,3-Dimethyl-1-butyne may cause skin, eye and respiratory irritation; is corrosive to skin and is harmful if ingested (may cause lung damage if inhaled).
Spectrum DetailBack Directory
[Spectrum Detail]

3,3-Dimethyl-1-butyne(917-92-0)MS
3,3-Dimethyl-1-butyne(917-92-0)1HNMR
3,3-Dimethyl-1-butyne(917-92-0)13CNMR
3,3-Dimethyl-1-butyne(917-92-0)IR1
3,3-Dimethyl-1-butyne(917-92-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,3-Dimethyl-1-butyne, 98%(917-92-0)
[Alfa Aesar]

3,3-Dimethyl-1-butyne, 98%(917-92-0)
[Sigma Aldrich]

917-92-0(sigmaaldrich)
[TCI AMERICA]

3,3-Dimethyl-1-butyne,>96.0%(GC)(917-92-0)
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