Cas no 69938-81-4 (Benzoic acid,2-hydroxy-, 2,2-dimethyl-1,3-propanediyl ester (9CI))
69938-81-4 structure
Product Name:Benzoic acid,2-hydroxy-, 2,2-dimethyl-1,3-propanediyl ester (9CI)
CAS No:69938-81-4
MF:C19H20O6
MW:344.358506202698
CID:507235
PubChem ID:9819501
Update Time:2025-04-19
Benzoic acid,2-hydroxy-, 2,2-dimethyl-1,3-propanediyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-hydroxy-, 2,2-dimethyl-1,3-propanediyl ester (9CI)
- [3-(2-hydroxybenzoyl)oxy-2,2-dimethylpropyl] 2-hydroxybenzoate
- 2,2-dimethyl-1,3-propanediyl disalicylate
- 2,2-dimethylpropane-1,3-diyl bis(2-hydroxybenzoate)
- DTXSID40220220
- EINECS 274-228-6
- NS00036985
- 69938-81-4
- SCHEMBL8341763
-
- Inchi： 1S/C19H20O6/c1-19(2,11-24-17(22)13-7-3-5-9-15(13)20)12-25-18(23)14-8-4-6-10-16(14)21/h3-10,20-21H,11-12H2,1-2H3
- InChI Key： UPOAXWJOHRPRER-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1O)=O)CC(C)(C)COC(C1C=CC=CC=1O)=O
Computed Properties
- Exact Mass: 344.126
- Monoisotopic Mass: 344.12598835g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 8
- Complexity: 421
- 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: 5
- Topological Polar Surface Area: 93.1?2
Experimental Properties
- Density: 1.263
- Boiling Point: 476.634°C at 760 mmHg
- Flash Point: 166.388°C
- Refractive Index: 1.587
- PSA: 93.06
Benzoic acid,2-hydroxy-, 2,2-dimethyl-1,3-propanediyl ester (9CI) Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
69938-81-4 (Benzoic acid,2-hydroxy-, 2,2-dimethyl-1,3-propanediyl ester (9CI)) Related Products
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