Cas no 17742-46-0 (3,4,5-trimethoxyphenyl acetate)
17742-46-0 structure
Product Name:3,4,5-trimethoxyphenyl acetate
CAS No:17742-46-0
MF:C11H14O5
MW:226.225863933563
CID:882582
PubChem ID:276280
Update Time:2025-04-19
3,4,5-trimethoxyphenyl acetate Chemical and Physical Properties
Names and Identifiers
-
- 3,4,5-trimethoxyphenyl acetate
- CHEBI:172465
- 17742-46-0
- (3,4,5-trimethoxyphenyl) acetate
- DTXSID20298523
- NSC 123859
- NSC123859
- AC-776/41252552
- SCHEMBL736176
- NSC-123859
- ASPRESJSDRJZBN-UHFFFAOYSA-N
-
- Inchi： 1S/C11H14O5/c1-7(12)16-8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3
- InChI Key： ASPRESJSDRJZBN-UHFFFAOYSA-N
- SMILES： O(C)C1C(=CC(=CC=1OC)OC(C)=O)OC
Computed Properties
- Exact Mass: 226.08412
- Monoisotopic Mass: 226.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 216
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 54?2
Experimental Properties
- Density: 1.136
- Melting Point: 74°C
- Boiling Point: 319.2°C at 760 mmHg
- Flash Point: 139.1°C
- Refractive Index: 1.49
- PSA: 53.99
3,4,5-trimethoxyphenyl acetate Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
17742-46-0 (3,4,5-trimethoxyphenyl acetate) Related Products
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- 27257-06-3(2,5-Dimethoxyphenyl acetate)
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- 525-52-0(1,2,3-Triacetoxybenzene)
- 108-58-7(1,3-Diacetoxybenzene)
- 5451-83-2(3-Methoxyphenyl acetate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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