Cas no 36056-90-3 (ethyl 3,3-diethoxy-2-methylpropanoate)
36056-90-3 structure
Product Name:ethyl 3,3-diethoxy-2-methylpropanoate
CAS No:36056-90-3
MF:C10H20O4
MW:204.263403892517
CID:1477994
PubChem ID:255446
Update Time:2025-04-21
ethyl 3,3-diethoxy-2-methylpropanoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 3,3-diethoxy-2-methylpropanoate
- 3,3-Diethoxy-2-methylpropanoic acid ethyl ester
- NSC 81012
- SY343115
- MFCD02684791
- NSC81012
- SCHEMBL1585638
- NCIOpen2_004368
- DTXSID80292229
- 36056-90-3
- NSC-81012
- AMY32162
- DB-370291
-
- Inchi： 1S/C10H20O4/c1-5-12-9(11)8(4)10(13-6-2)14-7-3/h8,10H,5-7H2,1-4H3
- InChI Key： OWPLJDFJJDEKQA-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)C)OCC
Computed Properties
- Exact Mass: 204.1362
- Monoisotopic Mass: 204.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 152
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- Density: 0.970
- Boiling Point: 253 oC
- Flash Point: 103 oC
- PSA: 44.76
ethyl 3,3-diethoxy-2-methylpropanoate Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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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