CAS 120-55-8 | Ethanol, 2,2'-oxybis-, 1,1'-dibenzoate | CAS Number 120-55-8

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120-55-8 | Ethanol, 2,2'-oxybis-, 1,1'-dibenzoate

CAS No: 120-55-8 Catalog No: AG000Q0Q MDL No:MFCD00020679

Product Description

Catalog Number:

AG000Q0Q

Chemical Name:

Ethanol, 2,2'-oxybis-, 1,1'-dibenzoate

CAS Number:

120-55-8

Molecular Formula:

C18H18O5

Molecular Weight:

314.3325

MDL Number:

MFCD00020679

IUPAC Name:

2-(2-benzoyloxyethoxy)ethyl benzoate

InChI:

InChI=1S/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2

InChI Key:

NXQMCAOPTPLPRL-UHFFFAOYSA-N

SMILES:

O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1

EC Number:

204-407-6

UNII:

YAI66YDY1C

RTECS Number:

ID6650000

Properties

Complexity:

322

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

314.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.337g/mol

Monoisotopic Mass:

314.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Effects of diethylene glycol dibenzoate and Bisphenol A on the lipid metabolism of Danio rerio.	The Science of the total environment 20180915
Mechanisms of biodegradation of dibenzoate plasticizers.	Chemosphere 20090901
Selective separation of virgin and post-consumer polymers (PET and PVC) by flotation method.	Waste management (New York, N.Y.) 20090601