Cas no 74367-32-1 (Propanoic acid,2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester)
74367-32-1 structure
Product Name:Propanoic acid,2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester
CAS No:74367-32-1
MF:C12H24O3
MW:216.317164421082
CID:556356
PubChem ID:551271
Update Time:2025-04-19
Propanoic acid,2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester
- Isobutyric acid 1-[1-(hydroxymethyl)propyl]butyl ester
- 74367-32-1
- Propanoic acid,2-methyl-,2-(hydroxymethyl)-1-propylbutyl ester
- 3-(hydroxymethyl)heptan-4-yl 2-methylpropanoate
- 2-(Hydroxymethyl)-1-propylbutyl 2-methylpropanoate #
- Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester
- SCHEMBL23837107
- SXNNFRPGPOKUEN-UHFFFAOYSA-N
-
- Inchi： 1S/C12H24O3/c1-5-7-11(10(6-2)8-13)15-12(14)9(3)4/h9-11,13H,5-8H2,1-4H3
- InChI Key： SXNNFRPGPOKUEN-UHFFFAOYSA-N
- SMILES： O(C(C(C)C)=O)C(CCC)C(CO)CC
Computed Properties
- Exact Mass: 216.17300
- Monoisotopic Mass: 216.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 178
- 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: 2.9
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 0.945±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 258.6±13.0 oC (760 Torr),
- Flash Point: 90.7±12.6 oC,
- Solubility: Slightly soluble (1.4 g/l) (25 o C),
- PSA: 46.53000
- LogP: 2.37280
Propanoic acid,2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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