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295493

Sigma-Aldrich

Propyne

≥99%

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:
12162002
PubChem Substance ID:
NACRES:
NA.23

vapor pressure

204.6 mmHg ( −49.5 °C)

Quality Level

Assay

≥99%

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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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)

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A I Strom et al.
The journal of physical chemistry. A, 124(22), 4471-4483 (2020-05-14)
Parahydrogen (pH2) quantum solids are excellent matrix isolation hosts for studying the rovibrational dynamics and nuclear spin conversion (NSC) kinetics of molecules containing indistinguishable nuclei with nonzero spin. The relatively slow NSC kinetics of propyne (CH3CCH) isolated in solid pH2
Meiyan Wang et al.
Journal of computational chemistry, 32(6), 1170-1177 (2011-03-10)
The reaction mechanism of Pd(0)-catalyzed methylacetylene bisselenation reaction is investigated by using the density functional method. The overall reaction mechanism involves the oxidative addition, insertion, and reductive elimination steps. The regioselectivity has been investigated for the methylacetylene insertion into Pd-Se
Fabien Goulay et al.
Physical chemistry chemical physics : PCCP, 9(31), 4291-4300 (2007-08-10)
The reactions of the ethynyl radical (C(2)H) with propyne and allene are studied at room temperature using an apparatus that combines the tunability of the vacuum ultraviolet radiation of the Advanced Light Source at Lawrence Berkeley National Laboratory with time-resolved
Yongping Zhang et al.
Langmuir : the ACS journal of surfaces and colloids, 29(6), 1868-1874 (2013-01-19)
To achieve silicon functionalization for the development of hybrid devices, multifunctional molecules may be employed to attach to the silicon surfaces. It is important to get a fundamental understanding about the molecule/silicon interface chemistry and the binding configuration. The surface
Michael J Ardolino et al.
Journal of the American Chemical Society, 134(21), 8770-8773 (2012-05-19)
The palladium-catalyzed cross-coupling of chiral propargyl acetates and allyl boronates delivers chiral 1,5-enynes with excellent levels of chirality transfer and can be applied across a broad range of substrates.

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