Cas no 89457-45-4 (Butanoic acid, 2-ethyl-, 3-hydroxy-1-methylpropyl ester)
89457-45-4 structure
Product Name:Butanoic acid, 2-ethyl-, 3-hydroxy-1-methylpropyl ester
CAS No:89457-45-4
MF:C10H20O3
MW:188.264003753662
CID:599721
PubChem ID:127258522
Update Time:2025-04-19
Butanoic acid, 2-ethyl-, 3-hydroxy-1-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid, 2-ethyl-, 3-hydroxy-1-methylpropyl ester
- 4-hydroxybutan-2-yl 2-ethylbutanoate
- 3-(Hydroxymethyl)pentan-2-ylbutyrate
- 3-(Hydroxymethyl)pentan-2-yl butyrate
- 89457-45-4
-
- Inchi： 1S/C10H20O3/c1-4-6-10(12)13-8(3)9(5-2)7-11/h8-9,11H,4-7H2,1-3H3
- InChI Key： CZRZJVBFPMMLFJ-UHFFFAOYSA-N
- SMILES： O(C(CCC)=O)C(C)C(CO)CC
Computed Properties
- Exact Mass: 188.14124450g/mol
- Monoisotopic Mass: 188.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 145
- 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: 1.8
- Topological Polar Surface Area: 46.5?2
Butanoic acid, 2-ethyl-, 3-hydroxy-1-methylpropyl ester 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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
89457-45-4 (Butanoic acid, 2-ethyl-, 3-hydroxy-1-methylpropyl ester) Related Products
- 25265-77-4(Texanol)
- 16409-46-4(2-Isopropyl-5-methylcyclohexyl 3-methylbutanoate)
- 220621-22-7(5-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)-5-oxopentanoic acid)
- 77341-67-4(4-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)-4-oxobutanoic acid)
- 17159-80-7(Ethyl 4-hydroxycyclohexanecarboxylate)
- 39212-23-2(Whiskey lactone)
- 7360-38-5(Glyceryl tri(2-ethylhexanoate))
- 32233-40-2((-)-Corey Lactone Diol)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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