Cas no 29240-30-0 (Benzoic acid,4-methyl-, 2-methylpropyl ester)
29240-30-0 structure
Product Name:Benzoic acid,4-methyl-, 2-methylpropyl ester
CAS No:29240-30-0
MF:C12H16O2
MW:192.254243850708
CID:284244
PubChem ID:141470
Update Time:2025-04-19
Benzoic acid,4-methyl-, 2-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-methyl-, 2-methylpropyl ester
- 2-methylpropyl 4-methylbenzoate
- iso-Butyl-p-methylbenzoat
- Isobutyl-p-toluat
- p-Toluic acid,isobutyl ester
- Isobutyl 4-methylbenzoate
- Q63408814
- ISOBUTYL PARA TOLUATE
- SCHEMBL6057162
- IELVQABKIBOBRG-UHFFFAOYSA-N
- NSC 24771
- 29240-30-0
- DTXSID70183495
- NSC-24771
- p-Toluic acid, isobutyl ester
- NSC24771
- Benzoic acid, 4-methyl-, 2-methylpropyl ester
-
- Inchi： 1S/C12H16O2/c1-9(2)8-14-12(13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
- InChI Key： IELVQABKIBOBRG-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C)=CC=1)=O)CC(C)C
Computed Properties
- Exact Mass: 192.11500
- Monoisotopic Mass: 192.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 179
- 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: 3.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 2.80780
Benzoic acid,4-methyl-, 2-methylpropyl ester Customs Data
- HS CODE：2916399090
- Customs Data：
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Benzoic acid,4-methyl-, 2-methylpropyl ester Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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