Cas no 63649-50-3 (3-Cyclohexene-1-methanol,a,4,6,6-tetramethyl-, 1-acetate)
63649-50-3 structure
Product Name:3-Cyclohexene-1-methanol,a,4,6,6-tetramethyl-, 1-acetate
CAS No:63649-50-3
MF:C13H22O2
MW:210.312584400177
CID:506531
PubChem ID:112702
Update Time:2025-04-19
3-Cyclohexene-1-methanol,a,4,6,6-tetramethyl-, 1-acetate Chemical and Physical Properties
Names and Identifiers
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- 3-Cyclohexene-1-methanol,a,4,6,6-tetramethyl-, 1-acetate
- 1-(4,6,6-trimethylcyclohex-3-en-1-yl)ethyl acetate
- 1-(2,2,4-Trimethyl-4-cyclohexenyl)ethyl acetate
- 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate
- 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, acetate
- alpha,4,6,6-Tetramethylcyclohex-3-ene-1-methyl acetate
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- Inchi： 1S/C13H22O2/c1-9-6-7-12(13(4,5)8-9)10(2)15-11(3)14/h6,10,12H,7-8H2,1-5H3
- InChI Key： MLQHMXIHRGYDJM-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(C)C1CC=C(C)CC1(C)C
Computed Properties
- Exact Mass: 210.162
- Monoisotopic Mass: 210.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 276
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.921
- Boiling Point: 248.4°Cat760mmHg
- Flash Point: 79°C
- Refractive Index: 1.451
3-Cyclohexene-1-methanol,a,4,6,6-tetramethyl-, 1-acetate Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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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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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
63649-50-3 (3-Cyclohexene-1-methanol,a,4,6,6-tetramethyl-, 1-acetate) Related Products
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