Cas no 19277-55-5 (Benzoic acid,4-methyl-, 1-methylethyl ester)
19277-55-5 structure
Product Name:Benzoic acid,4-methyl-, 1-methylethyl ester
CAS No:19277-55-5
MF:C11H14O2
MW:178.227663516998
CID:161126
PubChem ID:230182
Update Time:2025-04-19
Benzoic acid,4-methyl-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-methyl-, 1-methylethyl ester
- propan-2-yl 4-methylbenzoate
- 4-Methyl-benzoesaeure-isopropylester
- 4-methyl-benzoic acid isopropyl ester
- AC1L5IYV
- AC1Q5XUK
- AR-1L2545
- CTK4E1075
- isopropyl 4-methylbenzoate
- isopropyl p-methylbenzoate
- isopropyl toluoate
- isopropyll 4-methylbenzoate
- iso-Propyl-p-methylbenzoat
- NSC24769
- p-Toluic acid, isopropyl ester
- SureCN6057198
- Benzoic acid, 4-Methyl-, 1-Methylethyl ester
- Isopropyl 4-methylbenzoate #
- Q63398395
- ISOPROPYL PARA TOLUATE
- NSC-24769
- SCHEMBL6057198
- DTXSID40282161
- ONWRVKPIVJMSHO-UHFFFAOYSA-N
- AKOS008948189
- 19277-55-5
-
- Inchi： 1S/C11H14O2/c1-8(2)13-11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3
- InChI Key： ONWRVKPIVJMSHO-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C)=CC=1)=O)C(C)C
Computed Properties
- Exact Mass: 178.09942
- Monoisotopic Mass: 178.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 167
- 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: 3.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.006
- Boiling Point: 243.5°Cat760mmHg
- Flash Point: 105.9°C
- Refractive Index: 1.5
- PSA: 26.3
- LogP: 2.56020
Benzoic acid,4-methyl-, 1-methylethyl ester Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
19277-55-5 (Benzoic acid,4-methyl-, 1-methylethyl ester) Related Products
- 120-51-4(Benzyl benzoate)
- 13756-42-8(tert-Butyl 4-Methylbenzoate)
- 4105-92-4(Triethyl benzene-1,3,5-tricarboxylate)
- 143726-85-6(Tert-Butyl 4-(hydroxymethyl)benzoate)
- 636-53-3(Diethyl isophthalate)
- 120-33-2(Ethyl 3-methylbenzoate)
- 19851-61-7(Dibenzyl terephthalate)
- 94-08-6(Ethyl p-toluate)
- 636-09-9(Diethyl terephthalate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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