AG003H89

611-14-3 | 1-Ethyl-2-methylbenzene

AG003H89

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CAS Number	611-14-3
Catalog Number	AG003H89(AGN-PC-0WA6NA)
Chemical Name	1-Ethyl-2-methylbenzene
IUPAC Name	1-ethyl-2-methylbenzene
InChI	InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
InChI Key	HYFLWBNQFMXCPA-UHFFFAOYSA-N
MDL Number	MFCD00009257
Molecular Formula	C9H12
Molecular Weight	120.1916
NSC Number	405731
SMILES	CC1=CC=CC=C1CC
UNII	DBX00873SV
Synonyms	1-Ethyl-2-methylbenzene, 2-Ethyltoluene, 611-14-3, O-ETHYLTOLUENE, o-Methylethylbenzene, 1-Methyl-2-ethylbenzene, Toluene, o-ethyl-, ortho-Ethyltoluene, Benzene, 1-ethyl-2-methyl-, 1,2-methylethylbenzene, o-Ethyl methylbenzene, o-Ethyl methyl benzene, Ethyltoluene, UNII-DBX00873SV, o-Ethylmethylbenzene, NSC 405731, EINECS 210-255-1, BRN 1851237, AI3-28773, CHEMBL364233, DBX00873SV, CHEBI:34276, HYFLWBNQFMXCPA-UHFFFAOYSA-N, MFCD00009257, AK-49977, 2-ethyl-1-methylbenzene, 1-ethyl-2-methyl-benzene, J-504600, 2-ethylmethylbenzene, 2-Methylethylbenzene, Toluene, 2-ethyl-, 2-Ethyltoluene, 99%, AC1L1YEC, 2-Methyl-1-ethylbenzene, ACMC-1AZ6D, DSSTox_CID_29477, DSSTox_GSID_50403, 4-05-00-00999 (Beilstein Handbook Reference), KSC202O8L, BIDD:ER0573, WLN: 2R B1, DTXSID2050403, CTK1A2785, ACT08587, ZINC1598717, Tox21_303797, ANW-75613, BDBM50167949, NSC405731, SBB061450, AKOS015842902, AC-6953, AN-9508, CS-W009542, DS-2369, FCH1115636, MCULE-7161910991, NSC-405731, RL04305, RTC-020732, VZ36658, NCGC00356979-01, AJ-27913, AN-17782, CAS-611-14-3, CC-10546, CJ-25677, SC-85189, SY036834, 2-Ethyltoluene 100 microg/mL in Methanol, AX8074745, DB-024735, LS-154071, ST2408766, TC-020732, 4CH-015163, AM20040851, E0184, FT-0603747, ST51047463, Z4941, MFCD00009257 (97%), C14572, M-3915, 15402-EP2305683A1, 15402-EP2311839A1, 15402-EP2314589A1, 15402-EP2316837A1, C-24754, I01-7268, 2-Ethyltoluene, certified reference material, TraceCERT(R), InChI=1/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H, Ethyltoluene, o-, Benzene, ethylmethyl-, C(C)c1ccccc1C, N-PROPYLBENZENE, ETE (CHRIS Code), C9H12, CID11903, C9-H12, NA1993, UN1993, ACN-049645, 2-Ethyltoluene, 99% - 100ML 100ml, A8492, C3199, 25550-14-5,

Complexity	76.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	120.094g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	120.195g/mol
Monoisotopic Mass	120.094g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H304
Packing Group	Ⅲ
Precautionary statements	P301+P310-P331
UN Code	UN 3295

Certificate of Analysis

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