Cas no 1014-52-4 (Benzoic acid,4-hydroxy-2-methyl-5-(1-methylethyl)-, sodium salt (1:1))
1014-52-4 structure
Product Name:Benzoic acid,4-hydroxy-2-methyl-5-(1-methylethyl)-, sodium salt (1:1)
CAS No:1014-52-4
MF:C11H13NaO3
MW:216.208894491196
CID:193681
PubChem ID:23691981
Update Time:2025-04-19
Benzoic acid,4-hydroxy-2-methyl-5-(1-methylethyl)-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-hydroxy-2-methyl-5-(1-methylethyl)-, sodium salt (1:1)
- 4-Hydroxy-5-isopropyl-2-methylbenzoic acid sodium salt
- sodium,4-hydroxy-2-methyl-5-propan-2-ylbenzoate
- Sodium 4-hydroxy-5-isopropyl-2-methylbenzoate
- sodium;4-hydroxy-2-methyl-5-propan-2-ylbenzoate
- Sodium p-thymotate
- DTXSID20143903
- p-Thymotic acid, sodium salt
- 1014-52-4
- p-CYMENE-2-CARBOXYLIC ACID, 5-HYDROXY-, MONOSODIUM SALT
- p-Thymotic acid, monosodium salt
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- Inchi： 1S/C11H14O3.Na/c1-6(2)8-5-9(11(13)14)7(3)4-10(8)12;/h4-6,12H,1-3H3,(H,13,14);/q;+1/p-1
- InChI Key： NEWGTAXNYDMBSR-UHFFFAOYSA-M
- SMILES： [Na+].OC1=CC(C)=C(C(=O)[O-])C=C1C(C)C
Computed Properties
- Exact Mass: 216.07629
- Monoisotopic Mass: 216.076239
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 218
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 60.4
Experimental Properties
- Boiling Point: 344.1°Cat760mmHg
- Flash Point: 176.1°C
- PSA: 60.36
- LogP: 2.96040
Benzoic acid,4-hydroxy-2-methyl-5-(1-methylethyl)-, sodium salt (1:1) Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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