Cas no 153427-89-5 (Butanedioic acid, octyl-, 4-(1,1-dimethylethyl) ester, (R)-)
153427-89-5 structure
Product Name:Butanedioic acid, octyl-, 4-(1,1-dimethylethyl) ester, (R)-
CAS No:153427-89-5
MF:C16H30O4
MW:286.407005786896
CID:1327153
Update Time:2024-08-18
Butanedioic acid, octyl-, 4-(1,1-dimethylethyl) ester, (R)- Chemical and Physical Properties
Names and Identifiers
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- Butanedioic acid, octyl-, 4-(1,1-dimethylethyl) ester, (R)-
- Butanedioic acid, octyl-, 4-(1,1-dimethylethyl) ester, (R)- (9CI)
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- Inchi: 1S/C16H30O4/c1-5-6-7-8-9-10-11-13(15(18)19)12-14(17)20-16(2,3)4/h13H,5-12H2,1-4H3,(H,18,19)/t13-/m1/s1
- InChI Key: UCDDEHHXEDLYRH-CYBMUJFWSA-N
- SMILES: C(O)(=O)[C@H](CCCCCCCC)CC(OC(C)(C)C)=O
Computed Properties
- Exact Mass: 285.20667
Experimental Properties
- Density: 0.983±0.06 g/cm3(Predicted)
- Boiling Point: 390.3±25.0 °C(Predicted)
- PSA: 66.43
- pka: 4.49±0.23(Predicted)
Butanedioic acid, octyl-, 4-(1,1-dimethylethyl) ester, (R)- Related Literature
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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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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
153427-89-5 (Butanedioic acid, octyl-, 4-(1,1-dimethylethyl) ester, (R)-) Related Products
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