Cas no 16881-60-0 (Benzoic acid,2-hydroxy-3,5-bis(1-methylethyl)-, phenyl ester)
16881-60-0 structure
Product Name:Benzoic acid,2-hydroxy-3,5-bis(1-methylethyl)-, phenyl ester
CAS No:16881-60-0
MF:C19H22O3
MW:298.376185894012
CID:153922
PubChem ID:85622
Update Time:2025-04-19
Benzoic acid,2-hydroxy-3,5-bis(1-methylethyl)-, phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-hydroxy-3,5-bis(1-methylethyl)-, phenyl ester
- phenyl 2-hydroxy-3,5-di(propan-2-yl)benzoate
- phenyl 3,5-diisopropylsalicylate
- Einecs 240-913-3
- 3,5-Diisopropylsalicylic acid phenyl ester
- 2-Hydroxy-3,5-bis(1-methylethyl)benzoic acid phenyl ester
- U57DD99W6G
- Salicylic acid, 3,5-diisopropyl-, phenyl ester
- Benzoic acid, 2-hydroxy-3,5-bis(1-methylethyl)-, phenyl ester
- DTXSID60168610
- Phenyl 2-hydroxy-3,5-bis(1-methylethyl)benzoate
- NS00025541
- 16881-60-0
-
- Inchi： 1S/C19H22O3/c1-12(2)14-10-16(13(3)4)18(20)17(11-14)19(21)22-15-8-6-5-7-9-15/h5-13,20H,1-4H3
- InChI Key： YYEAGXUACASJES-UHFFFAOYSA-N
- SMILES： OC1=C(C(=O)OC2C=CC=CC=2)C=C(C=C1C(C)C)C(C)C
Computed Properties
- Exact Mass: 298.15696
- Monoisotopic Mass: 298.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 358
- 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
- Topological Polar Surface Area: 46.5A^2
- XLogP3: 5.8
Experimental Properties
- Density: 1.099
- Boiling Point: 395.4°Cat760mmHg
- Flash Point: 154.8°C
- Refractive Index: 1.562
- PSA: 46.53
Benzoic acid,2-hydroxy-3,5-bis(1-methylethyl)-, phenyl ester Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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