Cas no 94201-02-2 (3-Cyclohexene-1-methanol,2,4,6-trimethyl-a-(2-methyl-2-propen-1-yl)-,1-acetate)
94201-02-2 structure
Product Name:3-Cyclohexene-1-methanol,2,4,6-trimethyl-a-(2-methyl-2-propen-1-yl)-,1-acetate
CAS No:94201-02-2
MF:C16H26O2
MW:250.376445293427
CID:816612
PubChem ID:25076606
Update Time:2025-04-19
3-Cyclohexene-1-methanol,2,4,6-trimethyl-a-(2-methyl-2-propen-1-yl)-,1-acetate Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohexene-1-methanol,2,4,6-trimethyl-a-(2-methyl-2-propen-1-yl)-,1-acetate
- [3-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)but-3-enyl] acetate
- 94201-02-2
- DTXSID40916151
- EINECS 303-583-2
- 3-METHYL-1-(2,4,6-TRIMETHYLCYCLOHEX-3-EN-1-YL)BUT-3-EN-1-YL ACETATE
- 2,4,6-Trimethyl-alpha-(2-methylallyl)cyclohex-3-ene-1-methyl acetate
-
- Inchi： 1S/C16H26O2/c1-10(2)7-15(18-14(6)17)16-12(4)8-11(3)9-13(16)5/h8,12-13,15-16H,1,7,9H2,2-6H3
- InChI Key： GQXKQCLTSPXTEE-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(CC(=C)C)C1C(C)C=C(C)CC1C
Computed Properties
- Exact Mass: 250.193280068g/mol
- Monoisotopic Mass: 250.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 354
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.913±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 312.9±21.0 oC (760 Torr),
- Flash Point: 95.7±20.4 oC,
- Solubility: Almost insoluble (0.014 g/l) (25 o C),
3-Cyclohexene-1-methanol,2,4,6-trimethyl-a-(2-methyl-2-propen-1-yl)-,1-acetate Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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