Cas no 23361-78-6 (Pentanoic acid, 1,1-dimethylethyl ester)
23361-78-6 structure
Product Name:Pentanoic acid, 1,1-dimethylethyl ester
CAS No:23361-78-6
MF:C9H18O2
MW:158.238023281097
CID:1413933
PubChem ID:520048
Update Time:2025-04-20
Pentanoic acid, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 1,1-dimethylethyl ester
- tert-butyl pentanoate
- pentanoic acid, tert-butyl ester
- DTXSID20334233
- AKOS013211647
- SCHEMBL1003368
- tert-butylpentanoate
- pentanoic acid 1,1-dimethylethyl ester
- 23361-78-6
- tert-Butyl pentanoate #
-
- Inchi： 1S/C9H18O2/c1-5-6-7-8(10)11-9(2,3)4/h5-7H2,1-4H3
- InChI Key： SCSLUABEVMLYEA-UHFFFAOYSA-N
- SMILES： O(C(CCCC)=O)C(C)(C)C
Computed Properties
- Exact Mass: 158.13074
- Monoisotopic Mass: 158.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 122
- 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: 2.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Pentanoic acid, 1,1-dimethylethyl ester Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
23361-78-6 (Pentanoic acid, 1,1-dimethylethyl ester) Related Products
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- 15026-17-2(Mono-tert-Butyl succinate)
- 112-10-7(isopropyl stearate)
- 10233-13-3(Isopropyl laurate)
- 110-27-0(Isopropyl myristate)
- 7491-02-3(Diisopropyl sebacate)
- 14734-25-9(tert-Butyl methyl succinate)
- 6938-94-9(diisopropyl adipate)
- 2311-46-8(N-Caproic Acid Isopropyl Ester)
- 7011-83-8(Dihydrojasmone lactone)
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