Cas no 6297-45-6 (Benzoic acid,3-methyl-, 1-methylethyl ester)
6297-45-6 structure
Product Name:Benzoic acid,3-methyl-, 1-methylethyl ester
CAS No:6297-45-6
MF:C11H14O2
MW:178.227663516998
CID:528506
Update Time:2026-04-29
Benzoic acid,3-methyl-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-methyl-, 1-methylethyl ester
- propan-2-yl 3-methylbenzoate
- 3-Methyl-benzoesaeure-isopropylester
- AC1L5F3S
- AC1Q5XU7
- AR-1L1933
- CTK5B6882
- isopropyl 3-methylbenzoate
- iso-propyl 3-methylbenzoate
- isopropyl 3-toluate
- isopropyl m-methylbenzoate
- Isopropyl-3-methylbenzoat
- NSC17890
- SureCN6057062
-
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: 175
- 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: 3.6
Experimental Properties
- Density: 1.006
- Boiling Point: 246.8°C at 760 mmHg
- Flash Point: 107.6°C
- Refractive Index: 1.5
- PSA: 26.3
Benzoic acid,3-methyl-, 1-methylethyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
6297-45-6 (Benzoic acid,3-methyl-, 1-methylethyl ester) Related Products
- 120-51-4(Benzyl benzoate)
- 13756-42-8(tert-Butyl 4-Methylbenzoate)
- 143726-85-6(Tert-Butyl 4-(hydroxymethyl)benzoate)
- 4105-92-4(Triethyl benzene-1,3,5-tricarboxylate)
- 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)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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