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244392

Sigma-Aldrich

3,3-Dimethyl-1-butyne

98%

Synonym(s):

tert-Butylacetylene

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About This Item

Linear Formula:
(CH3)3CC≡CH
CAS Number:
917-92-0
Molecular Weight:
82.14
Beilstein:
1697100
EC Number:
213-035-3
MDL number:
MFCD00008852
UNSPSC Code:
12352100
PubChem Substance ID:
24854672

vapor pressure

7.88 psi ( 20 °C)

Quality Level

200

Assay

98%

form

liquid

refractive index

n20/D 1.374 (lit.)

bp

37-38 °C (lit.)

mp

−78 °C (lit.)

density

0.667 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CC(C)(C)C#C

InChI

1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3

InChI key

PPWNCLVNXGCGAF-UHFFFAOYSA-N

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Application

3,3-Dimethyl-1-butyne was 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.

accessory

Product No.
Description
Pricing

Pictograms

Flame
GHS02

Signal Word

Danger

Hazard Statements

H225 - H412

Hazard Classifications

Aquatic Chronic 3 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

-21.1 °F

Flash Point(C)

-29.5 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Flammable liquids
Special flammables
Hazardous rank I

Certificates of Analysis (COA)

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Karl Matos et al.
The Journal of organic chemistry, 63(3), 461-470 (2001-10-24)
Both erythro and threo isomers of B-(3,3-dimethyl-1,2-dideuterio-1-butyl)-9-BBN (6) were prepared from 3,3-dimethyl-1-butyne (4) through a hydroboration-deuteronolysis-hydroboration sequence employing first 9-BBN-H and then 9-BBN-D, or in reverse order, respectively. Employing the Whitesides protocol, the stereochemistry of B --> Pd alkyl group
E Fontana et al.
Current drug metabolism, 6(5), 413-454 (2005-10-27)
The inhibition of human cytochrome P450s (CYPs) is one of the most common mechanisms which can lead to drug-drug interactions. The inhibition of CYPs can be reversible (competitive or non-competitive) or irreversible. Irreversible inhibition usually derives from activation of a

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