AG0084DS

106-10-5 | 2-[2-(2-hydroxyethoxy)ethoxy]ethan-1-ol; bis(octanoic acid)

AG0084DS

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CAS Number	106-10-5
Catalog Number	AG0084DS(AGN-PC-0OVLV0)
Chemical Name	2-[2-(2-hydroxyethoxy)ethoxy]ethan-1-ol; bis(octanoic acid)
EC Number	203-361-4
IUPAC Name	2-[2-(2-octanoyloxyethoxy)ethoxy]ethyl octanoate
InChI	InChI=1S/C22H42O6/c1-3-5-7-9-11-13-21(23)27-19-17-25-15-16-26-18-20-28-22(24)14-12-10-8-6-4-2/h3-20H2,1-2H3
InChI Key	YJGHMLJGPSVSLF-UHFFFAOYSA-N
MDL Number	MFCD00048916
Molecular Formula	C22H42O6
Molecular Weight	402.5653
NSC Number	6380
SMILES	CCCCCCCC(OCCOCCOCCOC(CCCCCCC)=O)=O
Synonyms	Triethylene glycol dicaprylate, Triethylene glycol dioctanoate, 106-10-5, Octanoic acid, diester with triethylene glycol, 2,2'-Ethylenedioxydiethyl dioctanoate, Octanoic acid, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester, TRIETHYLENEGLYCOL DICAPRYLATE, Octanoic acid, 1,1'-(1,2-ethanediylbis(oxy-2,1-ethanediyl)) ester, Octanoic acid, 1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester, NSC 6380, EINECS 203-361-4, AC1L5AF8, AC1Q68GH, SCHEMBL80626, DTXSID4059334, CTK8G5154, NSC6380, NSC-6380, AKOS002805496, ZINC101034896, Octanoic acid, ethylenebis(oxyethylene) ester, 2-[2-(2-octanoyloxyethoxy)ethoxy]ethyl octanoate, Octanoic acid, ethylenebis(oxyethylene) ester (8CI), Octanoic acid,2-ethanediylbis(oxy-2,1-ethanediyl) ester, 2,2'-ethylendioxydiethyldioctanoat, C22H42O6, AR-1L7337, CID221542, C22-H42-O6, 116400-62-5,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	402.298g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	402.572g/mol
Monoisotopic Mass	402.298g/mol
Rotatable Bond Count	23
Topological Polar Surface Area	71.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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