Cas no 3306-36-3 (Benzoic acid,1-methylpropyl ester)
3306-36-3 structure
Product Name:Benzoic acid,1-methylpropyl ester
Benzoic acid,1-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,1-methylpropyl ester
- butan-2-yl benzoate
- s-Butyl Benzoate
- 1-methylpropyl benzoate
- 2-benzoyloxybutane
- 2-butylbenzoate
- benzoate de butyl-2
- LSLWNAOQPPLHSW-UHFFFAOYSA
- sec-Butyl benzoate
- 3306-36-3
- 2-butyl benzoate
- SCHEMBL867792
- DTXSID00880763
- AI3-30504
- NSC 122573
- NSC-122573
- AKOS006281617
- Sec-butyl benzoate #
- NSC21849
- InChI=1/C11H14O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
- LSLWNAOQPPLHSW-UHFFFAOYSA-N
- EINECS 221-986-0
- NSC 21849
- LSLWNAOQPPLHSW-UHFFFAOYSA-
- NSC122573
- NS00048949
- NSC-21849
- Benzoic acid, 1-methylpropyl ester
- FT-0693919
-
- Inchi： 1S/C11H14O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
- InChI Key： LSLWNAOQPPLHSW-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)C(C)CC
Computed Properties
- Exact Mass: 178.09900
- Monoisotopic Mass: 178.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 160
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Color/Form: Uncertain
- PSA: 26.30000
- LogP: 2.64190
- Solubility: Uncertain
Benzoic acid,1-methylpropyl ester Related Literature
-
1. 255. A study of the mechanism of oxidation with chromic acidWilliam A. Waters J. Chem. Soc. 1946 1151
-
2. CXXIX.—Benzoic esters and electronic affinities of radicals. Part IAhmad Zaki J. Chem. Soc. 1928 983
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