1,5-hexadiyne
hexa-1,5-diyne
Identification
| Name | 1,5-hexadiyne |
| IUPAC | hexa-1,5-diyne |
| CAS Number | 628-16-0 |
| EINECS | 211-029-5 |
| FDA UNII | Z4BAA98LQQ |
| Molecular Formula | C6 H6 |
| Molecular Weight | 78.11382000 |
| MDL Number | MFCD00014924 |
| Nikkaji Number | J6.875F |
| Beilstein | 505961 |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.79900 to 0.80300 @ 20.00 °C. |
| Pounds per Gallon - (est). | 6.656 to 6.690 |
| Refractive Index | 1.44000 to 1.44400 @ 20.00 °C. |
| Boiling Point | 86.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 75.300000 mmHg @ 25.00 °C. (est) |
| Flash Point | < -30.00 °F. TCC ( < -34.44 °C. ) |
| logP (o/w) | 1.500 (est) |
| Soluble in | water, 1239 mg/L @ 25 °C (est) |
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 1,5-hexadiyne usage levels up to | not for fragrance use. |
| Recommendation for 1,5-hexadiyne flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
hexa-1,5-diyne
PubMed:
[12]Annulynes from 1,5-hexadiyne and potassium tert-butoxide? Franz sondheimer's hexadienynes!
PubMed:
First total synthesis of (5Z,9Z)-(+/-)-2-methoxy-5,9-octadecadienoic acid, a marine derived methoxylated analog of taxoleic acid.
PubMed:
Reactions involving di-trans-[12]annulenes.
PubMed:
2,6-hexadecadiynoic acid and 2,6-nonadecadiynoic acid: novel synthesized acetylenic fatty acids as potent antifungal agents.
PubMed:
Conformation-specific spectroscopy of 3-benzyl-1,5-hexadiyne.
PubMed:
Isomeric product distributions from the self-reaction of propargyl radicals.
PubMed:
UV-absorption spectra of the radical transients generated from the 193-nm photolysis of allene, propyne, and 2-butyne.
PubMed:
Shock tube pyrolysis of 1,2,4,5-hexatetraene.
PubMed:
An optimized semidetailed submechanism of benzene formation from propargyl recombination.
PubMed:
[12]Annulynes.
PubMed:
Total synthesis and biological evaluation of (5Z,9Z)-5,9-hexadecadienoic acid, an inhibitor of human topoisomerase I.