Cas no 85391-53-3 (1,2-Benzenedicarboxylicacid, 1-(4-methyloctyl) 2-nonyl ester)
85391-53-3 structure
Product Name:1,2-Benzenedicarboxylicacid, 1-(4-methyloctyl) 2-nonyl ester
CAS No:85391-53-3
MF:C26H42O4
MW:418.609288692474
CID:725335
PubChem ID:3020643
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, 1-(4-methyloctyl) 2-nonyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, 1-(4-methyloctyl) 2-nonyl ester
- 2-O-(4-methyloctyl) 1-O-nonyl benzene-1,2-dicarboxylate
- 4-methyloctyl nonyl phthalate
-
- Inchi： 1S/C26H42O4/c1-4-6-8-9-10-11-14-20-29-25(27)23-18-12-13-19-24(23)26(28)30-21-15-17-22(3)16-7-5-2/h12-13,18-19,22H,4-11,14-17,20-21H2,1-3H3
- InChI Key： ASCIIAYCECQQJU-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C(=O)OCCCCCCCCC)=O)CCCC(C)CCCC
Computed Properties
- Exact Mass: 418.30831
- Monoisotopic Mass: 418.30831
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 30
- Rotatable Bond Count: 19
- Complexity: 448
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.8
- Topological Polar Surface Area: 52.6
Experimental Properties
- Density: 0.974
- Boiling Point: 420.4°C at 760 mmHg
- Flash Point: 224.6°C
- Refractive Index: 1.488
1,2-Benzenedicarboxylicacid, 1-(4-methyloctyl) 2-nonyl ester Related Literature
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
85391-53-3 (1,2-Benzenedicarboxylicacid, 1-(4-methyloctyl) 2-nonyl ester) Related Products
- 28553-12-0(Diisononyl phthalate)
- 84-74-2(Dibutyl phthalate)
- 84-75-3(Di-n-hexyl Phthalate)
- 84-77-5(Didecyl Phthalate (~90%))
- 26761-40-0(Diisodecyl Phthalate (mixture of branched chain isomers))
- 6422-86-2(Dioctyl Terepthalate)
- 27554-26-3(Diisooctyl phthalate)
- 94-46-2(Isopentyl benzoate)
- 117-81-7(Bis(2-ethylhexyl) phthalate)
- 85-68-7(Benzyl butyl phthalate)
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