AG003Q2E

33499-42-2 | Ethyl 2,4-dimethylbenzoate

AG003Q2E

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CAS Number	33499-42-2
Catalog Number	AG003Q2E(AGN-PC-0JLLVF)
Chemical Name	Ethyl 2,4-dimethylbenzoate
EC Number	251-544-2
IUPAC Name	ethyl 2,4-dimethylbenzoate
InChI	InChI=1S/C11H14O2/c1-4-13-11(12)10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3
InChI Key	RJYPOWRKMKNFHH-UHFFFAOYSA-N
MDL Number	MFCD00015438
Molecular Formula	C11H14O2
Molecular Weight	178.2277
SMILES	O=C(OCC)C1=CC=C(C)C=C1C
Synonyms	Ethyl 2,4-dimethylbenzoate, 33499-42-2, 2,4-dimethylbenzoic acid ethyl ester, Benzoic acid, 2,4-dimethyl-, ethyl ester, RJYPOWRKMKNFHH-UHFFFAOYSA-N, MFCD00015438, EINECS 251-544-2, ACMC-20al1j, AC1L3N1T, AC1Q64J7, SCHEMBL1107151, Jsp006135, CTK4H0696, DTXSID10187134, ZINC2560619, 6677AJ, 2,4-dimethyl-benzoic acid ethyl ester, AKOS008947920, AC-2942, MCULE-3390127647, TRA0073288, VZ22646, AJ-40606, AM808251, AN-13467, Benzoic acid,2,4-dimethyl-, ethyl ester, CJ-09570, SC-27415, SY003392, DB-048424, TC-166942, FT-0610148, ST24046757, ST50407870, Z-3356, MFCD00015438 (97+%), A821801, I01-10058, ETHYL2,4-DIMETHYLBENZOATE, C11H14O2, AR-1I8174, CID118492, ZINC02560619, ACN-050318, C11-H14-O2, 34508-68-4,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.099g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.231g/mol
Monoisotopic Mass	178.099g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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