AG0035HB

6669-13-2 | Phenyl tert-butyl ether

AG0035HB

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CAS Number	6669-13-2
Catalog Number	AG0035HB(AGN-PC-0JLT2S)
Chemical Name	Phenyl tert-butyl ether
IUPAC Name	(2-methylpropan-2-yl)oxybenzene
InChI	InChI=1S/C10H14O/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3
InChI Key	PNKZBZPLRKCVLI-UHFFFAOYSA-N
MDL Number	MFCD00049018
Molecular Formula	C10H14O
Molecular Weight	150.2176
NSC Number	78717
SMILES	C(C)(C)(C)OC1=CC=CC=C1
Synonyms	tert-Butoxybenzene, 6669-13-2, tert-Butyl phenyl ether, Benzene, (1,1-dimethylethoxy)-, Phenyl-t-Butylether, t-Butoxybenzene, Ether, tert-butyl phenyl, (1,1-Dimethylethoxy)benzene, (2-methylpropan-2-yl)oxybenzene, PNKZBZPLRKCVLI-UHFFFAOYSA-N, MFCD00049018, phenyl t-butyl ether, tert-butoxy-benzene, (tert-butoxy)benzene, Phenyl tert-butyl ether, Benzene,1-dimethylethoxy)-, SCHEMBL93074, KSC186Q9P, AC1L30S6, AC1Q57I9, DTXSID30216839, NSC78717, ZINC1718954, ANW-41669, KM1028, NSC-78717, AKOS002710533, MCULE-4270280798, TERT-BUTYL PHENYL ETHER, 98%, KS-0000027R, CJ-06848, DA-18269, AM20040984, FT-0659066, S01-0357, InChI=1/C10H14O/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H, CID81179, AR-1L5980, C10-H14-O, 68140-52-3,

Complexity	107
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.104g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	150.221g/mol
Monoisotopic Mass	150.104g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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