Cas no 18618-91-2 (3-(Hydroxymethyl)heptan-4-yl butanoate)
18618-91-2 structure
Product Name:3-(Hydroxymethyl)heptan-4-yl butanoate
CAS No:18618-91-2
MF:C12H24O3
MW:216.317164421082
CID:2659322
Update Time:2023-08-06
3-(Hydroxymethyl)heptan-4-yl butanoate Chemical and Physical Properties
Names and Identifiers
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- 3-(hydroxymethyl)heptan-4-yl butanoate
- Butyric acid 1-propyl-2-(hydroxymethyl)butyl ester
- Butyric acid 2-hydroxymethyl-1-propylbutyl ester
- 3-butyryloxy-2-ethyl-1-hexanol
- 3-(Hydroxymethyl)heptan-4-yl butanoate
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- Inchi: 1S/C12H24O3/c1-4-7-11(10(6-3)9-13)15-12(14)8-5-2/h10-11,13H,4-9H2,1-3H3
- InChI Key: VGXSATHUPYIAQX-UHFFFAOYSA-N
- SMILES: O(C(CCC)=O)C(CCC)C(CO)CC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 168
- Topological Polar Surface Area: 46.5
3-(Hydroxymethyl)heptan-4-yl butanoate Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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