Cas no 17140-45-3 (Benzoic acid,2-hydroxy-, 3-(3-hydroxypropoxy)propyl ester)
17140-45-3 structure
Product Name:Benzoic acid,2-hydroxy-, 3-(3-hydroxypropoxy)propyl ester
CAS No:17140-45-3
MF:C13H18O5
MW:254.279024600983
CID:172120
PubChem ID:3032661
Update Time:2025-04-19
Benzoic acid,2-hydroxy-, 3-(3-hydroxypropoxy)propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-hydroxy-, 3-(3-hydroxypropoxy)propyl ester
- 3-(3-hydroxypropoxy)propyl 2-hydroxybenzoate
- 3-(3-hydroxypropoxy)propyl salicylate
- 2-Hydroxybenzoic acid 3-(3-hydroxypropoxy)propyl ester
- EINECS 241-199-6
- SCHEMBL5181711
- Q27269124
- 17140-45-3
- Salicylic acid, 3-(3-hydroxypropoxy)propyl ester
- 807L50236G
- NS00025629
- UNII-807L50236G
- DTXSID20169087
- Benzoic acid, 2-hydroxy-, 3-(3-hydroxypropoxy)propyl ester
-
- Inchi： 1S/C13H18O5/c14-7-3-8-17-9-4-10-18-13(16)11-5-1-2-6-12(11)15/h1-2,5-6,14-15H,3-4,7-10H2
- InChI Key： MCMYXBUPCAZMFP-UHFFFAOYSA-N
- SMILES： O(CCCO)CCCOC(C1C=CC=CC=1O)=O
Computed Properties
- Exact Mass: 254.11544
- Monoisotopic Mass: 254.115424
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 76
Experimental Properties
- Density: 1.198
- Boiling Point: 423.1°Cat760mmHg
- Flash Point: 158.5°C
- Refractive Index: 1.537
- PSA: 75.99
Benzoic acid,2-hydroxy-, 3-(3-hydroxypropoxy)propyl ester Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
17140-45-3 (Benzoic acid,2-hydroxy-, 3-(3-hydroxypropoxy)propyl ester) Related Products
- 118-58-1(Benzyl salicylate)
- 118-61-6(Ethyl salicylate)
- 119-36-8(Methyl salicylate)
- 87-19-4(Isobutyl salicylate)
- 22717-57-3(Methyl 2-hydroxy-5-methylbenzoate)
- 607-85-2(Isopropyl Salicylate)
- 2050-08-0(2-Hydroxybenzoic Acid Pentyl Ester)
- 87-28-5(Glycol salicylate)
- 41489-76-3(Methyl 5-Formyl-2-hydroxybenzoate)
- 6969-49-9(Octyl salicylate)
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