AG0039XZ

776297-69-9 | Isopentyl pentyl phthalate

AG0039XZ

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CAS Number	776297-69-9
Catalog Number	AG0039XZ(AGN-PC-0WADIP)
Chemical Name	Isopentyl pentyl phthalate
IUPAC Name	2-O-(3-methylbutyl) 1-O-pentyl benzene-1,2-dicarboxylate
InChI	InChI=1S/C18H26O4/c1-4-5-8-12-21-17(19)15-9-6-7-10-16(15)18(20)22-13-11-14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3
InChI Key	MCXWUHMDAJQKBI-UHFFFAOYSA-N
MDL Number	MFCD11114532
Molecular Formula	C18H26O4
Molecular Weight	306.3966
SMILES	O=C(C1=CC=CC=C1C(OCCCCC)=O)OCCC(C)C
Synonyms	Isopentyl pentyl phthalate, 776297-69-9, AK162152, n-pentyl isopentyl phthalate, 3-Methylbutyl pentyl phthalate, SCHEMBL19667982, Isopentyl pentyl phthalate, 97%, MCXWUHMDAJQKBI-UHFFFAOYSA-N, MFCD11114532, ZINC77301400, AKOS025402564, QC-3604, KS-0000010S, Phthalic acid, n-pentyl-isopentyl ester, AS-19170, Phthalic acid, 3-methylbutyl pentyl ester, AB0031774, FT-0670479, ST24047438, X4978, N-(3-Methylbutyl-d11)-3-(1-naphthoyl)indole, 2-O-(3-methylbutyl) 1-O-pentyl benzene-1,2-dicarboxylate, N-Isopentyl-3-(1-naphthoyl)indole-d11 (JWH 018 isomer), Isopentyl pentan-2-yl phthalate, n-Pentyl-isopentyl phthalate, C18H26O4,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.183g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	306.402g/mol
Monoisotopic Mass	306.183g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number