Phthalic acid, bis[2- (2-ethoxyethoxy) ethyl] ester

CAT: 0926-AAA11785-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-AAA11785-01Size:250 mg

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CAS Number

117-85-1

Smiles

COC1=C (C=C (C (=C1) C (C2=C (C=C (C=C2) Cl) Cl) O) [N+] (=O) [O-]) OC

Molecular Formula

C20H30O8

Molecular Weight

398.4 g/mol

Controlled

Chemical Information

Bis(2-(2-ethoxyethoxy)ethyl) phthalate

CAS Number	117-85-1
PubChem CID	67031
IUPAC Name	bis[2-(2-ethoxyethoxy)ethyl] benzene-1,2-dicarboxylate
Molecular Formula	C20H30O8
Molecular Weight	398.4
XLogP	1.9
Topological Polar Surface Area	89.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	18
Heavy Atom Count	28
Formal Charge	0
Complexity	377

SMILES

CCOCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCOCC

InChI

InChI=1S/C20H30O8/c1-3-23-9-11-25-13-15-27-19(21)17-7-5-6-8-18(17)20(22)28-16-14-26-12-10-24-4-2/h5-8H,3-4,9-16H2,1-2H3

InChIKey

BWTZODIETZQWSD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 117-85-1

CID: 67031

Formula: C20H30O8

MW: 398.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	398.4
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	18
Exact Mass	398.19406791
Monoisotopic Mass	398.19406791
Topological Polar Surface Area	89.5 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	377
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FP62529-01	Phthalic acid bis (2-butoxyethyl) ester
EFC30363-01	2- (2-Ethoxyethoxy) ethyl carbamate
FE74134-01	2- (1-Ethoxyethoxy) ethyl) benzene
AAC06291-01	[2- (2-Ethoxyethoxy) ethyl] (methyl) amine
JHD93805-01	2- (2-Ethoxyethoxy) ethyl 2- (3-benzoylphenyl) propanoate
IB31255-01	3,4-Bis (2-methoxyethoxy) benzoic acid ethyl ester
RQB77946-01	2- (2-Ethoxyethoxy) propanoic acid
SPA51375	2- (2-Ethoxyethoxy) benzoic acid
FB18673-01	4-[Bis (2-hydroxypropyl) amino]benzoic acid ethyl ester, 90%
WAA48346-01	3-Methyl-phthalic acid dimethyl ester

Catalog	Name
275558-01	2- (2-Ethoxyethoxy) ethyl acetate
sc-487143	2- (2-Ethoxyethoxy) ethyl acrylate
sc-273772	2- (2-Ethoxyethoxy) ethyl bromide
C20908	Cholesteryl 2- (2-ethoxyethoxy) ethyl carbonate
TWK02207	2-(1-Ethoxyethoxy)ethyl)benzene
GTR19217320-01	(2- (1-Ethoxyethoxy) ethyl) benzene
MBS3607717-01	(2-(1-Ethoxyethoxy) ethyl) benzene
JH234901	Succinic acid bis- (2-ethoxy-ethyl ester)
RM-O050303-01	Oleic Acid, 2-[Bis (2-Hydroxyethyl) Amino]Ethyl Ester
RG-E141348-01	2-[2- (2-Ethoxyethoxy) ethoxy]ethyl 2-methyl-2-propenoate