Cas no 3461-31-2 (1,2-Benzenedicarboxylicacid, 1-butyl 2-nonyl ester)
3461-31-2 structure
Product Name:1,2-Benzenedicarboxylicacid, 1-butyl 2-nonyl ester
1,2-Benzenedicarboxylicacid, 1-butyl 2-nonyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, 1-butyl 2-nonyl ester
- 1-O-butyl 2-O-nonyl benzene-1,2-dicarboxylate
- butyl nonyl benzene-1,2-dicarboxylate
- Butyl nonyl phthalate
- VDNXOMXXJXUGHQ-UHFFFAOYSA-N
- Phthalic acid, butyl nonyl ester
- EINECS 222-412-1
- NS00029697
- SCHEMBL6400881
- 3461-31-2
- DTXSID70188182
-
- Inchi： 1S/C21H32O4/c1-3-5-7-8-9-10-13-17-25-21(23)19-15-12-11-14-18(19)20(22)24-16-6-4-2/h11-12,14-15H,3-10,13,16-17H2,1-2H3
- InChI Key： VDNXOMXXJXUGHQ-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C(=O)OCCCC)=O)CCCCCCCCC
Computed Properties
- Exact Mass: 348.23016
- Monoisotopic Mass: 348.23
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 15
- Complexity: 367
- 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: 7.4
- Topological Polar Surface Area: 52.6A^2
Experimental Properties
- Density: 1.004
- Boiling Point: 387°Cat760mmHg
- Flash Point: 205.7°C
- Refractive Index: 1.492
- PSA: 52.6
1,2-Benzenedicarboxylicacid, 1-butyl 2-nonyl ester Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
3461-31-2 (1,2-Benzenedicarboxylicacid, 1-butyl 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))
- 84-61-7(Dicyclohexyl phthalate)
- 27554-26-3(Diisooctyl phthalate)
- 117-81-7(Bis(2-ethylhexyl) phthalate)
- 94-50-8(Octyl benzoate)
- 85-68-7(Benzyl butyl phthalate)
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