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Key Documents

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)

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

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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
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
Alessandra M Tavares et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 64(2), 412-417 (2005-12-07)
The present manuscript reports a systematic investigation of the basis set dependence of some properties of hydrogen-bonded (pi type) complexes formed by propyne and a HX molecule, where X=F, Cl and CN. The calculations have been performed at Hartree-Fock, MP2
Tomoya Okino et al.
Physical chemistry chemical physics : PCCP, 14(12), 4230-4235 (2012-02-18)
Two-body decomposition processes of methylacetylene (CH(3)CCH) and its isotopomer methyl-d(3)-acetylene (CD(3)CCH) in intense laser fields (790 nm, 40 fs, 5.0 × 10(13) W cm(-2)) are investigated by the coincidence momentum imaging (CMI). In methyl-d(3)-acetylene, a total of six decomposition pathways
Erin M MacKenzie et al.
Bioorganic & medicinal chemistry, 16(17), 8254-8263 (2008-08-12)
A group of beta-phenylethylidenehydrazines possessing a variety of substituents (Me, OMe, Cl, F, and CF(3)) at the ortho-, meta-, or para-positions of the phenyl ring, in conjunction with either a N-bis-(2-propynyl) or a N-mono-(2-propynyl) moiety, were synthesized and compared to

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