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Sigma-Aldrich

Propyne

≥97%

Synonym(s):

Allylene, Methylacetylene

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About This Item

Linear Formula:
CH3C≡CH
CAS Number:
Molecular Weight:
40.06
EC Number:
MDL number:
UNSPSC Code:
12142100
PubChem Substance ID:
NACRES:
NA.22

vapor pressure

204.6 mmHg ( −49.5 °C)

Quality Level

Assay

≥97%

form

gas

bp

−23.2 °C (lit.)

mp

−102.7 °C (lit.)

SMILES string

CC#C

InChI

1S/C3H4/c1-3-2/h1H,2H3

InChI key

MWWATHDPGQKSAR-UHFFFAOYSA-N

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General description

Propyne (methylacetylene) is commonly used in gas welding.

Application

Propyne (CH3C≡CH) can be used:
  • As a fuel for stoichiometric low-pressure flat-flames in isomer-specific combustion studies.
  • In the synthesis of polycyclic aromatic hydrocarbons under various reaction conditions.
  • In the synthesis of phenylacetylenes.
  • In the selective synthesis of propene by catalytic hydrogenation using Pt/Al2O3 catalyst.

Packaging

Supplied in a Sure/Pac cylinder and has a brass needle valve with a male 1/4" NPTF outlet thread installed. Before using the cylinder, ensure that the valve is closed, then remove the galvanized steel hex cap that seals the outlet valve.

Compatible with the following:

Legal Information

Aldrich is a registered trademark of Sigma-Aldrich Co. LLC
Sure/Pac is a trademark of Sigma-Aldrich Co. LLC

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Signal Word

Danger

Hazard Statements

Hazard Classifications

Flam. Gas 1A - Press. Gas Compr. Gas - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

2A - Gases

WGK

nwg

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Propyne hydrogenation over alumina-supported palladium and platinum catalysts
Kennedy DR, et al.
Applied Catalysis A: General, 259(1), 109-120 (2004)
In situ generation of 1-propyne: A useful introduction of 1-propyne on unsaturated halogenated compounds through the Sonogashira reaction
Abraham E and Suffert J
Synlett, 2002(02), 0328-0330 (2002)
Reaction of phenyl radicals with propyne
Vereecken L, et al.
Journal of the American Chemical Society, 124(11), 2781-2789 (2002)
Isomer-specific combustion chemistry in allene and propyne flames
Hansen N, et al.
Combustion and Flame, 156(11), 2153-2164 (2009)
Lourdes Gracia et al.
The journal of physical chemistry. A, 112(8), 1808-1816 (2008-02-07)
Possible molecular mechanisms of the gas-phase ion/molecule reaction of VO2+ in its lowest singlet and triplet states (1A1/3A' ') with propyne have been investigated theoretically by density functional theory (DFT) methods. The geometries, energetic values, and bonding features of all

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