Cas no 59709-42-1 (1,2-Propanediol,3-[3-(acetyloxy)-2-hydroxypropoxy]- (9CI))
![1,2-Propanediol,3-[3-(acetyloxy)-2-hydroxypropoxy]- (9CI) structure](https://ossimg.kuujia.com/scimg/60000/59709-42-1x500.png)
59709-42-1 structure
Product Name:1,2-Propanediol,3-[3-(acetyloxy)-2-hydroxypropoxy]- (9CI)
CAS No:59709-42-1
MF:C8H16O6
MW:208.209043502808
CID:377497
PubChem ID:108379
Update Time:2025-04-19
1,2-Propanediol,3-[3-(acetyloxy)-2-hydroxypropoxy]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol,3-[3-(acetyloxy)-2-hydroxypropoxy]- (9CI)
- 3-(2,3-Dihydroxypropoxy)-2-hydroxypropyl acetate
- [3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] acetate
- DTXSID30975111
- EINECS 261-875-4
- 59709-42-1
- NS00055784
-
- Inchi： 1S/C8H16O6/c1-6(10)14-5-8(12)4-13-3-7(11)2-9/h7-9,11-12H,2-5H2,1H3
- InChI Key： YAXKICQBFWUCLI-UHFFFAOYSA-N
- SMILES： O(CC(CO)O)CC(COC(C)=O)O
Computed Properties
- Exact Mass: 208.09468
- Monoisotopic Mass: 208.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 160
- 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
- Topological Polar Surface Area: 96.2?2
Experimental Properties
- Density: 1.271
- Boiling Point: 385.5°C at 760 mmHg
- Flash Point: 153°C
- Refractive Index: 1.487
- PSA: 96.22
1,2-Propanediol,3-[3-(acetyloxy)-2-hydroxypropoxy]- (9CI) Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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