Cas no 26489-01-0 ((+/-)-3,7-Dimethyloct-6-en-1-ol)
26489-01-0 structure
Product Name:(+/-)-3,7-Dimethyloct-6-en-1-ol
CAS No:26489-01-0
MF:C10O
MW:136.106402397156
CID:52947
Update Time:2025-04-18
(+/-)-3,7-Dimethyloct-6-en-1-ol Chemical and Physical Properties
Names and Identifiers
-
- (+/-)-3,7-Dimethyloct-6-en-1-ol
- CITRONELLOL
- 3,7-DIMETHYL-6-OCTEN-1-OL
- 6-Octen-1-ol, 3,7-dimethyl-
- Cephrol
- DL-Citronellol
- Elenol
-
- Inchi： 1S/C10O/c1-9(2)5-4-6-10(3)7-8-11
- InChI Key： QSBUITPBFMWVKU-UHFFFAOYSA-N
- SMILES： [C][C]([C][C]/[C]=C(\[C])/[C])[C][C][O] |^1:0,1,4,6,7,10,^4:2,3,8,9|
Computed Properties
- Exact Mass: 156.151415
- Monoisotopic Mass: 156.151415
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 112
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2
Experimental Properties
- Density: 0.857?g/mL?at 25?°C(lit.)
- Melting Point: 77-83?°C(lit.)
- Boiling Point: 225?°C(lit.)
- Flash Point: 209?°F
- Refractive Index: n20/D 1.456(lit.)
- Vapor Pressure: ~0.02 mm Hg ( 25 °C)
(+/-)-3,7-Dimethyloct-6-en-1-ol Related Literature
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1. Reactions of terpenoids in strong acids. Part 2. Novel cyclisations of citronellol and the isomers of citralDerek V. Banthorpe,Paul A. Boullier J. Chem. Soc. Perkin Trans. 1 1977 114
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Lucia Sanchez-Prado,Gerardo Alvarez-Rivera,J. Pablo Lamas,Maria Llompart,Marta Lores,Carmen Garcia-Jares Anal. Methods 2013 5 416
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Zhong Shao,Fang Wang,Jingqi Shi,Lifang Ma,Ziyuan Li Org. Chem. Front. 2021 8 3298
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Robert Gerdes,Lukasz Lapok,Olga Tsaryova,Dieter W?hrle,Sergiu M. Gorun Dalton Trans. 2009 1098
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Luciana A. Parreira,Luciano Menini,Elena V. Gusevskaya Catal. Sci. Technol. 2014 4 2016
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Acyclic monoterpenoids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Acyclic monoterpenoids
- Natural Products and Extracts Plant Extracts Plant based Rhanterium epapposum
- Natural Products and Extracts Plant Extracts Plant based Laser trilobum
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