AG00IK04

98-19-1 | Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-

AG00IK04

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CAS Number	98-19-1
Catalog Number	AG00IK04(AGN-PC-0JK829)
Chemical Name	Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-
EC Number	202-647-6
IUPAC Name	1-tert-butyl-3,5-dimethylbenzene
InChI	InChI=1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3
InChI Key	FZSPYHREEHYLCB-UHFFFAOYSA-N
MDL Number	MFCD00008832
Molecular Formula	C12H18
Molecular Weight	162.2713
NSC Number	11016
SMILES	C(C)(C)(C)C1=CC(=CC(=C1)C)C
Synonyms	5-tert-Butyl-m-xylene, 1-tert-Butyl-3,5-dimethylbenzene, 98-19-1, 1-(tert-butyl)-3,5-dimethylbenzene, Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-, m-Xylene, 5-tert-butyl-, 1,3-Dimethyl-5-tert-butylbenzene, 5-tert-Butyl-1,3-dimethylbenzene, NSC 11016, Benzene, 5-tert-butyl-1,3-dimethyl-, EINECS 202-647-6, BRN 1853314, AI3-02460, 1,3-dimethyl-5-t-butylbenzene, 5-t-butyl-1,3-dimethylbenzene, FZSPYHREEHYLCB-UHFFFAOYSA-N, Benzene, 1,3-dimethyl-5-(1,1-dimethylethyl)-, MFCD00008832, 1-tert-butyl-3,5-dimethyl-benzene, NSC11016, 5-t-butylmetaxylene, 5-t-butyl-m-xylene, 5-tert.-butyl-m-xylene, AC1L1OMJ, ACMC-209s9v, t-Butyl-m-xylene (Related), 4-05-00-01130 (Beilstein Handbook Reference), tert-Butyl-m-xylene (Related), 1-t-butyl-3,5-dimethylbenzene, DTXSID2052659, CTK3J3878, FZSPYHREEHYLCB-UHFFFAOYSA-, 1-tert-Butyl-3,5-dimethylbezene, 3,5 -dimethyl-tert.-butylbenzene, 4-tert-Butyl-2,6-dimethylbenzene, 1,3-dimethyl-5-tert-butyl-benzene, 2,6-dimethyl-4-tert-butyl benzene, ZINC1712653, ANW-40913, NSC-11016, 1,3-dimethyl-5-tertiary-butylbenzene, AKOS009031118, NE10619, RTR-030298, Benzene,1-dimethylethyl)-3,5-dimethyl-, 1-tert-Butyl-3,5-dimethylbenzene, 98%, AJ-30798, CJ-29035, 1,3-DIMETHYL-5-(T-BUTYL)BENZENE, LS-162590, TR-030298, 1-(1,1-Dimethylethyl)-3,5-dimethylbenzene, B0965, FT-0620783, ST24026974, ST50406481, WLN: 1X1 & 1 & R C1 E1, Benzene, 1,3-dimethyl-5-(1,1-dimethylethyl), A845825, W-100088, I14-113056, InChI=1/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3, Benzene,3-dimethyl-, 5-tert-butyl-m-xylen, CID7378, C12H18, C12-H18,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.141g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.276g/mol
Monoisotopic Mass	162.141g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

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

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