tert-BUTYLACETYLENE

PRODUCT IDENTIFICATION
CAS NO. 917-92-0

tert-BUTYLACETYLENE
EINECS NO.

213-035-3
FORMULA (CH3)3CC≡CH
MOL WT. 82.15

H.S. CODE

 2901.29.5000

UN NO.

3295

TOXICITY

  
SYNONYMS 3,3-Dimethyl-1-butyne; 3,3-Dimethylbutyne; tert-Butylacetylene;
SMILES

C(C#C)(C)(C)C

CLASSIFICATION

 Alkyne

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE clear liquid
MELTING POINT -78 C
BOILING POINT

33 - 35 C
SPECIFIC GRAVITY 0.665 - 0.670
SOLUBILITY IN WATER Insoluble

SOLVENT SOLUBILITY

 Soluble in chloroform, benzene, toluene
pH  
VAPOR DENSITY

 
AUTOIGNITION

 
log Pow 2.41 (Octanol-water)
OH RATE 7.50E-12 (cm3/molecule-sec at 25 C Atmospheric
NFPA RATINGS Health: 2; Flammability: 3; Reactivity: 0

REFRACTIVE INDEX

 1.3736
FLASH POINT

-34 C
STABILITY

Stable under ordinary conditions

GENERAL DESCRIPTION & EXTERNAL LINKS
Alkynes are aliphatic hydrocarbons that have one or more carbon-carbon triple bonds. The general structure of the alkyne hydrocarbons with one triple bond is CnH2n-2. They are insoluble in water but easily soluble in common organic solvents of low polarity. The features of alkynes in chemical synthesis is due to the acidity of hydrogen atoms bonded to triply bonded carbons as well as the triple bonds themselves. Addition reactions are typical in alkyne reactions; halogenation, hydrogenation, hydrohalogenation, hydration, oxidative cleavage,  nitrile formation and acidity of terminal alkynes. Polymerisation and substitution reactions are also useful in chemical synthesis.
  • Addition Reactions
    • Catalytic Hydrogenation by Pt and Pd hydrogenation catalysts to yeild alkanes without isolation of alkene intermediates.
    • Catalytic Hydrogenation by Lindlar's catalyst to yeild cis- or trans- alkenes without further reduction to alkanes
    • Addition by Electrophilic Reagents
      • Addition of halides (chlorine, bromine, iodine) to yield dihalogen substituted alkanes at the double bond site
      • Addition of hydrogen halides (HCl, HBr, HI) to yield monohalogen substituted alkenes or dihalogen substituted alkanes
    • Hydration of alkynes to yield ketone products through enol tautomer intermediate stage, whereas the hydration of double bonds gives alcohol products (exceptionally acetylene yields acetaldehyde ).
    • Hydroboration by disiamylborane to yield ketones or aldehydes
    • Oxidation cleavages of the triple-bond to give carboxylic acid products with oxidizing agents (potassium permanganate and ozone)
  • Nucleophilile Addition by sp-hybrid carbon atoms of the triple-bond render alkynes (nitrile formation)
  • Nucleophilile Reduction by solutions of sodium in liquid ammonia to trans-alkenes

The name of all alkynes end in "-yne" adding a prefix to indicate the location of the triple bond in the molecule.

An example of end product from tert-Butylacetylene is Terbinafine (an fungicide)

SALES SPECIFICATION

APPEARANCE

 clear liquid

PURITY (G.C.)

98.0% min

WATER

0.05% max
TRANSPORTATION
PACKING
130kgs in drum
HAZARD CLASS 3 (Packing Group: II)
UN NO. 3295
OTHER INFORMATION
Hazard Symbols: F, Risk Phrases: 11, Safety Phrases: 16-28S-37-45

LIST OF ALKYNES

COMPOUND

SYNONYM

FORMULA

CAS RN

M.P (C)

B.P (C)

Ethyne

Acetylene

 C2H2 74-86-2

-84.0

 -28

Propyne

Methyl acetylene

 C3H4  74-99-7 -103 -23

1,3-Butadiyne

Diacetylene

 C4H2 460-12-8

 

10

1-Butyne

Ethyl acetylene

 C4H6 107-00-6 -125.7

8

2-Butyne

 Crotonylene C4H6 503-17-3 -32.2 27

1,3-Pentadiyne

 

 C5H4 4911-55-1

 

 

3-Penten-1-yne

Propenyl acetylene

 C5H6 2206-23-7

 

 

2-Methyl-1-buten-3-yne

Isopropenyl acetylene

 C5H6 78-80-8

-113

 32

1-Penten-3-yne

Methyl vinyl acetylene

 C5H6 646-05-9

 

 

1-Penten-4-yne

Allyl acetylene

 C5H6 871-28-3

 

 

2-Pentyne

Ethyl methyl acetylene

 C5H8 627-21-4 -109 56

3-Methyl-1-butyne

Isopropyl acetylene

 C5H8 598-23-2 -89.7

26

1-Pentyne

Propyl acetylene

 C5H8 627-19-0 -106

40

3-Hexyne

Diethyl acetylene

 C6H10 928-49-4 -103

81

2-Hexyne

Methyl propyl acetylene

 C6H10 764-35-2 -89.1

84

4-Methyl-1-pentyne

Isobutyl acetylene

 C6H10 7154-75-8 -105

61

1-Hexyne

Butyl acetylene

 C6H10 693-02-7 -131.9

71

3-Methyl-1-pentyne

sec-Butyl acetylene

 C6H10 922-59-8

 

58

4-Methyl-2-pentyne

Isopropyl methyl acetylene

 C6H10 21020-27-9

-110

73

3,3-Dimethyl-1-butyne

tert-Butyl acetylene

 C6H10 917-92-0 -78.2 38

1,5-Hexadiyne

Dipropargyl

 C6H6 628-16-0

-6

86

1,4-Hexadiyne

 

 C6H6 10420-91-4

 

79

1,5-Hexadien-3-yne

Divinyl acetylene

 C6H6 821-08-9

 

  

1-Hexen-3-yne

Ethyl vinyl acetylene

 C6H8 13721-54-5

 

84

4-Methyl-2-hexyne

sec-Butyl methyl acetylene

C7H12

 20198-49-6 -108

100

2-Methyl-3-hexyne

Isopropyl ethyl acetylene

 C7H12

 

-117

95

5-Methyl-2-hexyne

Isobutyl methyl acetylene

 C7H12 53566-37-3

-93

102

3-Ethyl-1-pentyne

 

 C7H12

 

 

 84

1-Heptyne

n-Pentyl acetylene

 C7H12 628-71-7

-81

100

4,4-Dimethyl-2-pentyne

tert-Butyl methyl acetylene

 C7H12 999-78-0

 

83

3-Heptyne

Ethyl propyl acetylene

 C7H12 2586-89-2

-131

107

4,4-Dimethyl-1-pentyne

Neopentyl acetylene

 C7H12

 

 -75

78

2-Heptyne

n-Butyl methyl acetylene

 C7H12 1119-65-9

 

112

1,6-Heptadiyne

 

 C7H8 2396-63-6

 

108

1,7-Octadiyne

 

 C8H10 871-84-1

 

135

2,6-Octadiyne

 

 C8H10 764-73-8

 

 

Cyclooctyne

 

 C8H12 1781-78-8

 

 

4-Octyne

Dipropyl acetylene

 C8H14 1942-45-6 -102.5

132

1-Octyne

n-Hexyl acetylene

 C8H14 629-05-0 -79.3 126

3-Octyne

n-Butyl ethyl acetylene

 C8H14 15232-76-5 -104

133

2-Octyne

n-Pentyl methyl acetylene

 C8H14 2809-67-8 -61.6 138

1,8-Nonadiyne

 

 C9H12 2396-65-8 -21

 

Cyclononyne

 

 C9H14 6573-52-0

 

 

1-Nonyne

n-Heptyl acetylene

 C9H16 3452-09-3 -50 151

3-Nonyne

Methyl n-pentyl acetylene

 C9H16 20184-89-8

 

 157

2-Nonyne

n-Hexyl methyl acetylene

 C9H16 19447-29-1

 

162

4-Nonyne

n-Butyl propyl acetylene

 C9H16 20184-91-2

 

 

Cyclodecyne

 

 C10H16 3022-41-1

 

 

5-Decyne

Di-n-butyl acetylene

 C10H18 1942-46-7

-73

 

3-Decyne

Ethyl n-hexyl acetylene

 C10H18 2384-85-2

 

179

1-Decyne

n-Octyl acetylene

 C10H18 764-93-2

-44

174

2,2,5,5-Tetramethyl-3-hexyne

Di-tert-butyl acetylene

 C10H18 17530-24-4

 

 

1-Undecyne

n-Nonyl acetylene

 C11H20 2243-98-3 -25

195

6-Dodecyne

Di-n-pentyl acetylene

 C12H22 6975-99-1

 

 

1-Dodecyne

n-Decyl acetylene

 C12H22 765-03-7

-19

225

1-Tridecyne

n-Undecyl acetylene

 C13H24 26186-02-7 -5

234

1-Tetradecyne

n-Dodecyl acetylene

 C14H26 765-10-6

 

252

1-Pentadecyne

n-Tridecyl acetylene

 C15H28 765-13-9

10

269

1-Hexadecyne

n-Tetradecyl acetylene

 C16H30 629-74-3

25

 285

1-Heptadecyne

n-Pentadecyl acetylene

 C17H32 26186-00-5 22

300

1-Heptadecyne

n-Pentadecyl acetylene

 C17H32 26186-00-5

22

300

2-Octadecyne

 

 C18H34

 

 

325

1-Octadecyne

 

 C18H34 629-89-0

 

 

1-Nonadecyne

 

 C19H36

 

33

329

1-Eicosyne

 1-Icosyne C20H38

 

36

 342



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