AG003S2C

3549-23-3 | Methyl 2-(4-(tert-butyl)phenyl)acetate

AG003S2C

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CAS Number	3549-23-3
Catalog Number	AG003S2C(AGN-PC-0JTO3V)
Chemical Name	Methyl 2-(4-(tert-butyl)phenyl)acetate
EC Number	222-602-4
FEMA Number	2690
IUPAC Name	methyl 2-(4-tert-butylphenyl)acetate
InChI	InChI=1S/C13H18O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H3
InChI Key	HXVTYMWVMVKVTF-UHFFFAOYSA-N
MDL Number	MFCD00051913
Molecular Formula	C13H18O2
Molecular Weight	206.2808
SMILES	O=C(OC)CC1=CC=C(C(C)(C)C)C=C1
UNII	8A4H5QO9OJ
Synonyms	3549-23-3, Methyl p-tert-butylphenylacetate, Methyl 4-tert-butylphenylacetate, Methyl 2-(4-(tert-butyl)phenyl)acetate, 4-tert-Butylphenylacetic acid methyl ester, Benzeneacetic acid, 4-(1,1-dimethylethyl)-, methyl ester, UNII-8A4H5QO9OJ, methyl 2-(4-tert-butylphenyl)acetate, 8A4H5QO9OJ, Methyl 4-(1,1-dimethylethyl)benzeneacetate, HXVTYMWVMVKVTF-UHFFFAOYSA-N, Acetic acid, (p-tert-butylphenyl)-, methyl ester, MFCD00051913, 4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid, methyl 2-[4-(tert-butyl)phenyl]acetate, FEMA No. 2690, EINECS 222-602-4, ACMC-1AGBF, AC1LCRV2, methyl butyl phenyl acetate, methyl p-t-butylphenylacetate, KSC497K8J, Methyl 4-t-butylphenylacetate, SCHEMBL846548, DTXSID0063070, CTK3J7584, FEMA 2690, KS-00000JBH, ZINC157118, ACN-S004322, EBD30483, ANW-49983, SBB058368, methyl-2-(4-tert-butylphenyl)acetate, AKOS000295886, Methyl (4-tert-butylphenyl)acetate #, CS-W019287, MCULE-1299346536, RTR-014679, TRA0036448, AJ-14888, AK-41646, AN-20238, AS-14809, CJ-01590, M673, SY015965, ZB006560, 4-tertbutylphenyl acetic acid methyl ester, 4-tert-Butylbenzeneacetic acid methyl ester, 4-tert-butylphenyl acetic acid methyl ester, AB1006067, TR-014679, FT-0619513, FT-0628661, ST24030896, ST50320250, Methyl p-tert-butylphenylacetate, >=95%, FG, M-6996, MFCD00051913 (97+%), 549M233, I14-1156, Methyl p-tert-butylphenylacetate, analytical standard, F0001-1026, 33155-60-1, InChI=1/C13H18O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H, Methylp-tert-butylphenylacetate, C13H18O2, CID605629, C13-H18-O2, Methyl 4-tert-butylphenylacetate, 97% - 25G 25g,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.131g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.285g/mol
Monoisotopic Mass	206.131g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number