Cas no 15818-56-1 (1,2-Benzenedicarboxylic acid, bis(4-hydroxybutyl) ester)
15818-56-1 structure
Product Name:1,2-Benzenedicarboxylic acid, bis(4-hydroxybutyl) ester
CAS No:15818-56-1
MF:C16H22O6
MW:310.342285633087
CID:1336052
PubChem ID:14513268
Update Time:2025-04-20
1,2-Benzenedicarboxylic acid, bis(4-hydroxybutyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylic acid, bis(4-hydroxybutyl) ester
- bis(4-hydroxybutyl) benzene-1,2-dicarboxylate
- SCHEMBL1308818
- Bis(4-hydroxybutyl) phthalate
- 1,2-Benzenedicarboxylic acid, 1,2-bis(4-hydroxybutyl) ester
- DTXSID80561169
- 15818-56-1
-
- Inchi： 1S/C16H22O6/c17-9-3-5-11-21-15(19)13-7-1-2-8-14(13)16(20)22-12-6-4-10-18/h1-2,7-8,17-18H,3-6,9-12H2
- InChI Key： FUZUFZCLXLEROD-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C(=O)OCCCCO)=O)CCCCO
Computed Properties
- Exact Mass: 310.14166
- Monoisotopic Mass: 310.14163842g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 12
- Complexity: 299
- 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: 2.3
- Topological Polar Surface Area: 93.1?2
Experimental Properties
- PSA: 93.06
1,2-Benzenedicarboxylic acid, bis(4-hydroxybutyl) ester Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
15818-56-1 (1,2-Benzenedicarboxylic acid, bis(4-hydroxybutyl) ester) Related Products
- 136-60-7(Butyl benzoate)
- 28553-12-0(Diisononyl phthalate)
- 84-74-2(Dibutyl phthalate)
- 84-75-3(Di-n-hexyl Phthalate)
- 84-77-5(Didecyl Phthalate (~90%))
- 131-18-0(1,2-dipentyl benzene-1,2-dicarboxylate)
- 26761-40-0(Diisodecyl Phthalate (mixture of branched chain isomers))
- 27554-26-3(Diisooctyl phthalate)
- 117-81-7(Bis(2-ethylhexyl) phthalate)
- 85-68-7(Benzyl butyl phthalate)
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