- 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 25269-17-4 (Isocembrol)
Isocembrol structure
Product Name:Isocembrol
Isocembrol Chemical and Physical Properties
Names and Identifiers
-
- 2,7,11-Cyclotetradecatrien-1-ol,1,7,11-trimethyl-4-(1-methylethyl)-, (1R,2E,4S,7E,11E)-
- THUNBERGOL
- (1R,2E,4S,7E,11E)-4-Isopropyl-1,7,11-trimethylcyclotetradeca-2,7,11-trienol
- Isocembrol
- 25269-17-4
- (1R,2Z,4S,7E,11E)-4-Isopropyl-1,7,11-trimethyl-2,7,11-cyclotetradecatrien-1-ol
- (1R,2E,4S,7E,11E)-4-Isopropyl-1,7,11-trimethylcyclotetradeca-2,7,11-trien-1-ol
- (1R,2Z,4S,7Z,11Z)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
- NS00114118
-
- 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/b15-13-,17-10-,18-9-/t19-,20-/m1/s1
- InChI Key： YAPXSYXFLHDPCK-MLVUXGSTSA-N
- SMILES： O[C@@]1(C)C=C[C@@H](CCC(C)=CCCC(C)=CCC1)C(C)C |c:3,9,14|
Computed Properties
- Exact Mass: 290.26112
- Monoisotopic Mass: 290.260965704g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 400
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.1
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.876
- Boiling Point: 392.69°C at 760 mmHg
- Flash Point: 169.813°C
- Refractive Index: 1.472
- PSA: 20.23
- LogP: 5.81260
Isocembrol Production Method
Production Method 1
Reaction Conditions
1.1C:63800-37-3, 3 h, 120°C
Reference
Production Method 2
Reaction Conditions
1.1C:12173-10-3, 3 h, 140°C
Reference
- Clinoptilolite as a natural, active zeolite catalyst for the chemical transformations of geraniolBy Fajdek-Bieda, Anna et al, Reaction Kinetics, 2021, 133(2), 997-1011
Isocembrol Raw materials
Isocembrol Preparation Products
Isocembrol Related Literature
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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