Cas no 89124-45-8 (Acetic acid, 2-sulfo-,1-ethyl ester)
89124-45-8 structure
Product Name:Acetic acid, 2-sulfo-,1-ethyl ester
CAS No:89124-45-8
MF:C4H8O5S
MW:168.168320655823
CID:711076
PubChem ID:12216623
Update Time:2025-04-19
Acetic acid, 2-sulfo-,1-ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, 2-sulfo-,1-ethyl ester
- 2-ethoxy-2-oxoethanesulfonic acid
- SULFO-ACETIC ACID ETHYL ESTER
- (ethoxycarbonyl)methanesulfonic acid
- acetic acid ethylester sulfonic acid
- Aceticacid,sulfo-,1-ethyl ester (7CI,9CI)
- Aethoxycarbonyl-methansulfonsaeure
- Essigsaeure-aethylester-sulfonsaeure
- ethyl sulfoacetate
- Sulfoessigsaeure-aethylester
-
- Inchi： 1S/C4H8O5S/c1-2-9-4(5)3-10(6,7)8/h2-3H2,1H3,(H,6,7,8)
- InChI Key： YVPPWLBQPPBIGX-UHFFFAOYSA-N
- SMILES： S(CC(=O)OCC)(=O)(=O)O
Computed Properties
- Exact Mass: 168.00900
- Monoisotopic Mass: 168.00924453g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 198
- 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: -0.6
- Topological Polar Surface Area: 89?2
Experimental Properties
- PSA: 89.05000
- LogP: 0.51810
Acetic acid, 2-sulfo-,1-ethyl ester Customs Data
- HS CODE：2914509090
- Customs Data：
China Customs Code:
2914509090Overview:
2914509090 Ketones containing other oxygen-containing groups. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
Acetic acid, 2-sulfo-,1-ethyl ester Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Organic sulfonic acids and derivatives Organosulfonic acids
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Organic sulfonic acids and derivatives Organosulfonic acids and derivatives Organosulfonic acids
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