- Influence of Technological Parameters on the Isomerization of Geraniol Using SepioliteBy Fajdek-Bieda, Anna et al, Catalysis Letters, 2020, 150(3), 901-911
Cas no 80126-41-6 (Isocembrol)
Isocembrol structure
Product Name:Isocembrol
CAS No:80126-41-6
MF:C20H34O
MW:290.48336648941
CID:2004005
Update Time:2025-03-10
Isocembrol Chemical and Physical Properties
Names and Identifiers
-
- Isocembrol
- Epiisocembrol
- 2,7,11-Cyclotetradecatrien-1-ol, 1,7,11-trimethyl-4-(1-methylethyl)-, (1S,2E,4S,7E,11E)-
-
- Inchi： 1S/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3
- InChI Key： YAPXSYXFLHDPCK-UHFFFAOYSA-N
- SMILES： CC(C1C=CC(O)(C)CCC=C(C)CCC=C(C)CC1)C
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 5
- Complexity: 447
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: nothing
- Tautomer Count: nothing
- Surface Charge: 0
Experimental Properties
- Density: 0.875±0.06 g/cm3(Predicted)
- Boiling Point: 392.7±42.0 °C(Predicted)
- pka: 14.40±0.70(Predicted)
Isocembrol Production Method
Production Method 1
Reaction Conditions
1.1C:63800-37-3, 3 h, 120°C
Reference
Isocembrol Raw materials
Isocembrol Preparation Products
Isocembrol Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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