1-heptyne
N-pentylacetylene
Identification
| Name | 1-heptyne |
| IUPAC | hept-1-yne |
| CAS Number | 628-71-7 |
| EINECS | 211-051-5 |
| FDA UNII | Z3NF9SSH6K |
| Molecular Formula | C7 H12 |
| Molecular Weight | 96.17264000 |
| MDL Number | MFCD00009529 |
| Nikkaji Number | J21.022F |
| Beilstein | 1733518 |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.73300 to 0.74000 @ 20.00 °C. |
| Pounds per Gallon - (est). | 6.106 to 6.165 |
| Refractive Index | 1.40700 to 1.41000 @ 20.00 °C. |
| Boiling Point | 99.70 °C. @ 760.00 mm Hg |
| Vapor Pressure | 43.519001 mmHg @ 25.00 °C. (est) |
| Flash Point | 28.00 °F. TCC ( -2.22 °C. ) |
| logP (o/w) | 3.208 (est) |
| Soluble in | water, 94 mg/L @ 25 °C (exp) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for 1-heptyne usage levels up to | not for fragrance use. |
| Recommendation for 1-heptyne flavor usage levels up to | not for flavor use. |
Penta International Corporation
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Potential Uses
Natural Occurrence
Synonyms
amylacetylene
hept-1-yne
N-
pentylacetylene
PubMed:
Metal and precursor effect during 1-heptyne selective hydrogenation using an activated carbon as support.
PubMed:
Characteristics and catalytic behavior of Pd catalysts supported on nanostructure titanate in liquid-phase hydrogenation.
PubMed:
Electronic excitation of [(μ4-η2-alkyne)Rh4(CO)8(μ-CO)2]: an in situ UV/Vis spectroscopy, spectral reconstruction and DFT study.
PubMed:
Near-infrared spectroscopy as a useful tool for analysis in solution in common organic solvents.
PubMed:
Palladium-catalyzed stereospecific synthesis of 2,6-disubstituted tetrahydropyrans: 1,3-chirality transfer by an intramolecular oxypalladation reaction.
PubMed:
Adducts of thianthrene- and phenoxathiin cation radical tetrafluoroborates to 1-alkynes. Structures and formation of 1-(5-thianthreniumyl)- and 1-(10-phenoxathiiniumyl)alkynes on alumina leading to alpha-ketoylides and alpha-ketols.
PubMed:
Phase relationships and thermodynamic interactions of isotactic poly(1-butene) and organic solvent systems.
PubMed:
Stereoselective synthesis of (6Z,10E,12Z)-octadeca-6,10,12-trienoic acid, (8Z,12E,14Z)-eicosa-8,12,14-trienoic acid, and their [1-14C]-radiolabeled analogs.
PubMed:
Ring scission of diastereomeric 4-butylspiropentylcarbinyl radicals as a chemical model for identifying enzyme-catalyzed FAD adducts resulting from spiropentylacetyl-CoA.
PubMed:
Stereoselective Total Synthesis of (+/-)-Swainsonine Based on Endo Mode Cyclization.
PubMed:
Sequential substitution of 1,2-dichloro-ethene: a convenient stereoselective route to (9Z,11E)-, (10E,12Z)- and (10Z,12Z)-.
PubMed:
Synthesis of 2,3,9,10,16,17,23,24-Octaalkynylphthalocyanines and the Effects of Concentration and Temperature on Their (1)H NMR Spectra.
PubMed:
[Synthesis of the leukotriene A4 methyl ester via acetylene intermediates].
PubMed:
[Synthesis of leukotriene A4 methyl ester via acetylene intermediates].
PubMed:
Two geometrical isomers of linoleic acid: improved total syntheses.