AG003DBT

94491-96-0 | Ethyl isobutyl phthalate

AG003DBT

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CAS Number	94491-96-0
Catalog Number	AG003DBT(AGN-PC-03I35R)
Chemical Name	Ethyl isobutyl phthalate
IUPAC Name	1-O-ethyl 2-O-(2-methylpropyl) benzene-1,2-dicarboxylate
InChI	InChI=1S/C14H18O4/c1-4-17-13(15)11-7-5-6-8-12(11)14(16)18-9-10(2)3/h5-8,10H,4,9H2,1-3H3
InChI Key	POXXQVSKWJPZNO-UHFFFAOYSA-N
MDL Number	MFCD28053434
Molecular Formula	C14H18O4
Molecular Weight	250.2903
SMILES	O=C(OCC(C)C)C1=CC=CC=C1C(OCC)=O
Synonyms	Ethyl isobutyl phthalate, 94491-96-0, 1,2-Benzenedicarboxylic acid, ethyl 2-methylpropyl ester, AK160920, ACMC-20lyrg, SCHEMBL1142993, CTK3F4862, DTXSID70620537, KS-000001LH, MFCD28053434, ZINC98181703, AKOS024258132, DS-9807, SY032059, AJ-142810, AX8293947, MFCD28053434 (95%), Ethyl 2-methylpropyl benzene-1,2-dicarboxylate, 1,2-benzenedicarboxylic acid ethyl 2-methylpropyl ester, Phthalic acid 1-ethyl 2-isobutyl ester,

Complexity	286
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.121g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.294g/mol
Monoisotopic Mass	250.121g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number