AG0038PB

480-63-7 | 2,4,6-Trimethylbenzoic Acid

AG0038PB

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CAS Number	480-63-7
Catalog Number	AG0038PB(AGN-PC-0JK9G3)
Chemical Name	2,4,6-Trimethylbenzoic Acid
EC Number	207-553-9
IUPAC Name	2,4,6-trimethylbenzoic acid
InChI	InChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)
InChI Key	FFFIRKXTFQCCKJ-UHFFFAOYSA-N
MDL Number	MFCD00002481
Molecular Formula	C10H12O2
Molecular Weight	164.2011
SMILES	CC1=C(C(=O)O)C(=CC(=C1)C)C
UNII	4PU2HG6787
Synonyms	mesitylenecarboxylic acid, mesitylenecarboxylic acid, sodium salt, 2,4,6-TRIMETHYLBENZOIC ACID, 480-63-7, Mesitoic acid, Mesitylenecarboxylic acid, beta-Isodurylic acid, Benzoic acid, 2,4,6-trimethyl-, .beta.-Isodurylic acid, UNII-4PU2HG6787, NSC 1119, EINECS 207-553-9, MFCD00002481, 2-Mesitylenecarboxylic acid, BRN 1866187, 2,4,6-trimethyl-benzoic acid, CHEBI:64830, FFFIRKXTFQCCKJ-UHFFFAOYSA-N, 4PU2HG6787, 2,6-Trimethylbenzoic acid, Benzoic acid,4,6-trimethyl-, 2,4,6-Trimethylbenzoicacid, MESITOIC AICD, PubChem13263, AC1L1UOH, AC1Q5TFI, ACMC-1CT01, DSSTox_CID_28175, DSSTox_RID_82735, DSSTox_GSID_48200, SCHEMBL21870, 4-09-00-01854 (Beilstein Handbook Reference), KSC237C5H, CHEMBL3185447, DTXSID6048200, Benzoicacid, 2,4,6-trimethyl-, CTK1D7153, KS-00000JEV, NSC1119, 2, 4, 6-trimethyl benzoic acid, ZINC159788, EBD26642, NSC-1119, MESITYLENE-2-CARBOXYLIC ACID, Tox21_303453, ANW-30627, NSC407983, SBB063104, 2,4,6-Trimethylbenzoic acid, 99%, AKOS000120671, CS-W007903, MCULE-8721131371, NSC-407983, RP22724, RTR-017647, TF10329, TRA0041498, NCGC00257417-01, NCGC00334079-01, AC-12366, AJ-15529, AK-50732, AN-45186, AS-10833, CAS-480-63-7, LS-38537, SC-46585, SY013746, DB-030784, TR-017647, FT-0082709, FT-0609890, ST24027293, ST50307937, T1421, TL80090908, MFCD00002481 (99%), K-9166, AB00375791-03, AB-131/40171157, I01-0358, W-106058, F1905-7180, InChI=1/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12, Mesitylene carboxylic acid, 2,4,6-Trimethylbenziocacid, C10H12O2, CID10194, AR-1D3124, C10-H12-O2, A1720, 2,4,6-Trimethylbenzoic acid, 99% - 10G 10g, 50-76-0,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.204g/mol
Monoisotopic Mass	164.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number