AG002ES0

19074-24-9 | Dodecanedioic acid, 1,12-bis(2-ethylhexyl) ester

AG002ES0

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CAS Number	19074-24-9
Catalog Number	AG002ES0(AGN-PC-0JKKP1)
Chemical Name	Dodecanedioic acid, 1,12-bis(2-ethylhexyl) ester
EC Number	242-798-5
IUPAC Name	bis(2-ethylhexyl) dodecanedioate
InChI	InChI=1S/C28H54O4/c1-5-9-19-25(7-3)23-31-27(29)21-17-15-13-11-12-14-16-18-22-28(30)32-24-26(8-4)20-10-6-2/h25-26H,5-24H2,1-4H3
InChI Key	MTPSFISGWJGUGN-UHFFFAOYSA-N
MDL Number	MFCD00144216
Molecular Formula	C28H54O4
Molecular Weight	454.7260
SMILES	CCCCC(CC)COC(=O)CCCCCCCCCCC(=O)OCC(CC)CCCC
Synonyms	Bis(2-ethylhexyl) dodecanedioate, 19074-24-9, DODECANEDIOIC ACID, BIS(2-ETHYLHEXYL) ESTER, Dodecanedioic Acid Di(2-ethylhexyl) Ester, EINECS 242-798-5, BRN 2165628, Dodecanedioic acid, bis(2-ethylhexyl)ester, Dodecanedioic acid, 1,12-bis(2-ethylhexyl) ester, W-110488, AC1L1HCT, ACMC-1BT6R, SCHEMBL2049701, Di(2-ethylhexyl) Dodecanedioate, CTK4E0469, MTPSFISGWJGUGN-UHFFFAOYSA-N, ANW-23505, MFCD00144216, AKOS027382568, ACM19074249, AK397991, LS-63446, TC-112250, FT-0768823, C-56502, Dodecanedioic acid,1,12-bis(2-ethylhexyl) ester, I14-105407, Dioctyl dodecanedioate, Dodecanedioic Acid Dioctyl Ester, CID29401, C28-H54-O4, D2092,

Complexity	395
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	454.402g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	454.736g/mol
Monoisotopic Mass	454.402g/mol
Rotatable Bond Count	25
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	10.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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