AG0029QW

2049-95-8 | Benzene, (1,1-dimethylpropyl)-

AG0029QW

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CAS Number	2049-95-8
Catalog Number	AG0029QW(AGN-PC-0JKCSO)
Chemical Name	Benzene, (1,1-dimethylpropyl)-
EC Number	218-076-0
IUPAC Name	2-methylbutan-2-ylbenzene
InChI	InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChI Key	QHTJSSMHBLGUHV-UHFFFAOYSA-N
MDL Number	MFCD00015187
Molecular Formula	C11H16
Molecular Weight	148.2447
NSC Number	4025
SMILES	C(C)(C)(CC)C1=CC=CC=C1
UNII	ER8C1TON3X
Synonyms	tert-Amylbenzene, tert-Pentylbenzene, 2049-95-8, 2-Methyl-2-phenylbutane, (1,1-DIMETHYLPROPYL)BENZENE, Benzene, (1,1-dimethylpropyl)-, Benzene, tert-pentyl-, 2-Phenyl-2-methylbutane, t-amylbenzene, 2-methylbutan-2-ylbenzene, NSC 4025, EINECS 218-076-0, UNII-ER8C1TON3X, ER8C1TON3X, BRN 2039053, (2-methylbutan-2-yl)benzene, AI3-00117, QHTJSSMHBLGUHV-UHFFFAOYSA-N, MFCD00015187, tert-amyl benzene, tert.-amylbenzene, NSC4025, p-tert.amyl-benzene, 1,1-dimethylpropylbenzene, ACMC-1CB4T, 2-Phenyl-2-methyl butane, EC 218-076-0, AC1L27NT, Benzene,1-dimethylpropyl)-, 4-05-00-01090 (Beilstein Handbook Reference), KSC202K7H, Jsp004189, CHEMBL1797417, DTXSID7051848, CTK1A2573, QHTJSSMHBLGUHV-UHFFFAOYSA-, WLN: 2X1&1&R, NSC-4025, ZINC1672956, 0523AB, ANW-24106, SBB060977, AKOS006229632, MCULE-5316481588, NE10762, TRA0057140, KS-00000H48, AJ-29289, AK-96688, AN-50157, CJ-06151, CJ-27225, LS-30966, SC-17785, DB-038115, RT-000313, 4CH-007705, A0751, FT-0659579, ST24031869, ST51047062, A814609, I01-0860, W-107617, tert-Amylbenzene, >=99%, H2O <100 ppm, acid <200 ppm, InChI=1/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3, Benceno, (1,1-dimetilpropil)-, CID16295, C11H16, C11-H16, tert-Amylbenzene, 99.5% - 10G 10g,

Complexity	107
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.125g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	148.249g/mol
Monoisotopic Mass	148.125g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H303-H411-H226
Precuationary statements	P501-P273-P240-P210-P233-P243-P241-P242-P280-P370+P378-P312-P391-P303+P361+P353-P403+P235
Siginal words	dangerous

Certificate of Analysis

Lot Number