Cas no 17181-26-9 (1,2-Benzenedicarboxylicacid, 1-octadecyl ester)
17181-26-9 structure
Product Name:1,2-Benzenedicarboxylicacid, 1-octadecyl ester
CAS No:17181-26-9
MF:C26H42O4
MW:418.609288692474
CID:199198
PubChem ID:86978
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, 1-octadecyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, 1-octadecyl ester
- 2-octadecoxycarbonylbenzoic acid
- octadecyl hydrogen phthalate
- 2-[(octadecyloxy)carbonyl]benzoic acid
- Einecs 241-227-7
- Phthalic acid 1-octadecyl ester
- Phthalic acid hydrogen 1-octadecyl ester
- DTXSID20169168
- NS00025635
- 1-OCTADECYL 1,2-BENZENEDICARBOXYLATE
- K5319YP21S
- SCHEMBL795642
- UNII-K5319YP21S
- 17181-26-9
- 1,2-BENZENEDICARBOXYLIC ACID, 1-OCTADECYL ESTER
- HYDROGEN OCTADECYL PHTHALATE
-
- Inchi： 1S/C26H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-26(29)24-21-18-17-20-23(24)25(27)28/h17-18,20-21H,2-16,19,22H2,1H3,(H,27,28)
- InChI Key： GXXNMQBOGJLFAY-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C(=O)O)=O)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 418.30846
- Monoisotopic Mass: 418.308
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 30
- Rotatable Bond Count: 20
- Complexity: 435
- 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: 10.7
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- Density: 0.995
- Boiling Point: 536.3°Cat760mmHg
- Flash Point: 168.2°C
- Refractive Index: 1.5
- PSA: 63.6
1,2-Benzenedicarboxylicacid, 1-octadecyl ester Related Literature
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
17181-26-9 (1,2-Benzenedicarboxylicacid, 1-octadecyl 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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