Cas no 5451-95-6 (Benzoic acid, nonylester)
Benzoic acid, nonylester structure
Product Name:Benzoic acid, nonylester
Benzoic acid, nonylester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, nonylester
- nonyl benzoate
- CHEMBL2271361
- Benzoic acid, nonyl ester
- Benzoic acid nonyl ester
- NONYL-BENZOATE
- NSC21881
- DTXSID20202928
- NSC 21881
- N6B3TKN7YC
- 5451-95-6
- n-nonyl benzoate
- EINECS 226-691-0
- SCHEMBL634555
- NS00033111
- Q63395485
- VUHMHACHBVTPMF-UHFFFAOYSA-N
- UNII-N6B3TKN7YC
- NSC-21881
-
- Inchi： 1S/C16H24O2/c1-2-3-4-5-6-7-11-14-18-16(17)15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3
- InChI Key： VUHMHACHBVTPMF-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)CCCCCCCCC
Computed Properties
- Exact Mass: 248.17772
- Monoisotopic Mass: 248.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 207
- 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: 6.2
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- Density: 0.957
- Boiling Point: 337.1°Cat760mmHg
- Flash Point: 142.2°C
- Refractive Index: 1.49
- PSA: 26.3
- LogP: 4.59400
Benzoic acid, nonylester Related Literature
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
5451-95-6 (Benzoic acid, nonylester) Related Products
- 136-60-7(Butyl benzoate)
- 84-75-3(Di-n-hexyl Phthalate)
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- 3126-90-7(Dibutyl isophthalate)
- 6422-86-2(Dioctyl Terepthalate)
- 94-46-2(Isopentyl benzoate)
- 117-81-7(Bis(2-ethylhexyl) phthalate)
- 94-50-8(Octyl benzoate)
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