Cas no 105989-25-1 (Hexanoic acid, 4-methyl-3-oxo-, ethyl ester, (4S)-)
105989-25-1 structure
Product Name:Hexanoic acid, 4-methyl-3-oxo-, ethyl ester, (4S)-
CAS No:105989-25-1
MF:C9H16O3
MW:172.221543312073
CID:1167445
Update Time:2024-07-26
Hexanoic acid, 4-methyl-3-oxo-, ethyl ester, (4S)- Chemical and Physical Properties
Names and Identifiers
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- Hexanoic acid, 4-methyl-3-oxo-, ethyl ester, (4S)-
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- Inchi： 1S/C9H16O3/c1-4-7(3)8(10)6-9(11)12-5-2/h7H,4-6H2,1-3H3/t7-/m0/s1
- InChI Key： KHIHEUAINZCGRS-ZETCQYMHSA-N
- SMILES： C(OCC)(=O)CC(=O)[C@@H](C)CC
Experimental Properties
- Density: 0.967±0.06 g/cm3(Predicted)
- Boiling Point: 213.2±8.0 °C(Predicted)
- pka: 10.42±0.46(Predicted)
Hexanoic acid, 4-methyl-3-oxo-, ethyl ester, (4S)- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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