Cas no 37836-28-5 (2,4,6-Heptatrienoic acid,5-methyl-7-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E,4E,6E)-)
37836-28-5 structure
Product Name:2,4,6-Heptatrienoic acid,5-methyl-7-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E,4E,6E)-
CAS No:37836-28-5
MF:C17H24O2
MW:260.371265411377
CID:1486386
Update Time:2024-08-23
2,4,6-Heptatrienoic acid,5-methyl-7-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E,4E,6E)- Chemical and Physical Properties
Names and Identifiers
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- 2,4,6-Heptatrienoic acid,5-methyl-7-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E,4E,6E)-
- all-trans-β-ionylidenecrotonic acid
- 2,4,6-Heptatrienoic acid, 5-methyl-7-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E,4E,6E)-
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- Inchi： 1S/C17H24O2/c1-13(7-5-9-16(18)19)10-11-15-14(2)8-6-12-17(15,3)4/h5,7,9-11H,6,8,12H2,1-4H3,(H,18,19)/b9-5+,11-10+,13-7+
- InChI Key： CWIIMDFBSQDTNJ-UTDVJLEFSA-N
- SMILES： C(O)(=O)/C=C/C=C(\C)/C=C/C1C(C)(C)CCCC=1C
Computed Properties
- Exact Mass: 260.17772
Experimental Properties
- Density: 1.024±0.06 g/cm3(Predicted)
- Melting Point: 161-163 °C
- Boiling Point: 415.6±14.0 °C(Predicted)
- PSA: 37.3
- pka: 4.38±0.10(Predicted)
2,4,6-Heptatrienoic acid,5-methyl-7-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E,4E,6E)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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