AG00329Z

529-20-4 | 2-Methylbenzaldehyde

AG00329Z

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CAS Number	529-20-4
Catalog Number	AG00329Z(AGN-PC-0WAJ93)
Chemical Name	2-Methylbenzaldehyde
IUPAC Name	2-methylbenzaldehyde
InChI	InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
InChI Key	BTFQKIATRPGRBS-UHFFFAOYSA-N
MDL Number	MFCD00003338
Molecular Formula	C8H8O
Molecular Weight	120.1485
NSC Number	103152
SMILES	O=Cc1ccccc1C
UNII	Q7E5H6W6BG
Synonyms	2-methylbenzaldehyde, o-tolualdehyde, 2-Methylbenzaldehyde, O-TOLUALDEHYDE, 529-20-4, 2-Tolualdehyde, 2-Formyltoluene, o-Toluylaldehyde, o-Toluic aldehyde, o-Tolylaldehyde, o-Methylbenzaldehyde, 2-Methyl-Benzaldehyde, Benzaldehyde, 2-methyl-, o-Methylbenazldehyde, Toluic aldehyde, UNII-Q7E5H6W6BG, NSC 103152, CCRIS 4735, o-Tolualdehyde (8CI), EINECS 208-452-2, MFCD00003338, Q7E5H6W6BG, AI3-21918, CHEBI:27434, BTFQKIATRPGRBS-UHFFFAOYSA-N, DSSTox_CID_2051, DSSTox_RID_76470, DSSTox_GSID_22051, 1334-78-7, o-Tolualdehyde, 98%, stabilized, CAS-529-20-4, HSDB 7690, Ortho-tolualdehyde, o-Tolualdehyde, a, ortho-tolyl aldehyde, 2-methyl benzaldehyde, o-Tolualdehyde, 97%, PubChem15511, ORTHO TOLUALDEHYDE, AC1Q2EVS, o-Tolualdehyde, stabilized, ACMC-209l2r, bmse000556, AC1L1VT5, O-METHYL BENZALDEHYDE, SCHEMBL58273, KSC178S2T, MLS002152916, CHEMBL1487138, DTXSID1022051, BDBM85648, CTK0H8929, KS-00000AXE, TIMTEC-BB SBB040277, HMS3039B13, ZINC896726, o-Tolualdehyde, >=96.5%, FG, o-Tolualdehyde, analytical standard, BCP26381, EBD43108, STR03092, AKOS BBS-00003266, Tox21_201764, Tox21_303012, ANW-31585, LABOTEST-BB LT00932053, LABOTEST-BB LT03330800, LS-184, NSC103152, AKOS000119537, AS02777, CS-W008902, LS11852, MCULE-2830937302, NSC-103152, PS-4581, RTR-018738, NCGC00091709-01, NCGC00091709-02, NCGC00256526-01, NCGC00259313-01, AC-16954, AJ-24249, AK-65179, AN-45595, CJ-04496, SC-46939, SMR001224516, SY001303, ZB015105, DB-021372, TR-018738, FT-0632309, ST24040883, T0566, Y6547, AZ0001-0313, MFCD00003338 (98%), 2-Tolualdehyde, stab. with 0.1% hydroquinone, A15625, C07214, W-109552, F2190-0586, UNII-ALC105UA3K component BTFQKIATRPGRBS-UHFFFAOYSA-N, InChI=1/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H, Tolualdehyde, Tolyl aldehyde, 2 - tolualdehyde, Benzaldehyde, methyl-, Toluenecarboxaldehyde, METHYLBENZALDEHYDE, VHR X, FEMA No. 3068, UNII-ALC105UA3K, C8H8O, Tolualdehydes (mixed o,m,p), FEMA 3068, HSDB 5821, C8-H8-O, Tolualdehyde, mixed o-, m-, p-, CID10722, EINECS 215-615-1, tolualdehydes (mixed o-, m-, p-), c0250, o-Tolualdehyde, 98%, stabilized 25g, o-Tolualdehyde, 98% - 100G 100g, FEMA Number 3068 / tolualdehyde, mixed isomers/,

Complexity	98.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	120.058g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	120.151g/mol
Monoisotopic Mass	120.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number