Diethylene glycol, diacetate
Basic information
- CAS
628-68-2- Standard SMILES
CC(=O)OCCOCCOC(C)=O- InChIKey
UBPGILLNMDGSDS-UHFFFAOYSA-N- Molecular formula
- C8H14O5
- Average molar mass
- 190.19 g/mol
- Monoisotopic mass
- 190.08412355
Overview
Diethylene glycol diacetate is an acetate ester that is the diacetate obtained by the formal condensation of the two hydroxy groups of diethylene glycol with two molecules of acetic acid respectively. It has a role as a metabolite. It is functionally related to a diethylene glycol.
Names & identifiers
- Preferred name
- Diethylene glycol, diacetate
- IUPAC
- 2-(2-acetyloxyethoxy)ethyl acetate
- English name
- Diethyleneglycol diacetate
- Molecular formula
- C8H14O5
- Molecular weight
- 190.19
Names & synonyms
Diethylene glycol diacetate628-68-2Ethanol, 2,2'-oxybis-, diacetateDiethylene glycol, diacetate2-(2-acetyloxyethoxy)ethyl acetateAcetic acid, oxydiethylene ester9OA65529VTNSC-6310CHEBI:87344DTXSID90879242RefChem:133493DTXCID401017256
Show more names
CAS_628-68-2digol diacetate2-acetoxyethyl etheroxydiethylenedi(acetate)iethyleneglycoldiacetateBIS (2-ACETOXYETHYL) ETHER
211-049-4Oxydiethylene acetateDiethyleneglycoldiacetateDiglycol, diacetateOxydiethylene di(acetate)2-[2-(Acetyloxy)ethoxy]ethyl acetateOxybis(2-ethyl Acetate)MFCD00026211
Database identifiers
- CAS
628-68-2- PubChem CID
- 69411
- DTXSID
DTXSID90879242- ChEBI
CHEBI:87344- UNII
- 9OA65529VT
- EC Number
- 211-049-4
- Nikkaji
- J36.586F
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Density1.1068 @25 °C
Boiling Point200 °C @760 [mm Hg]
Melting Point18 °C
Physicochemical properties
- Melting point
- 19 °C · 19°C
- Boiling point
- 200 °C · 200°C (estimate)
- Density
- 1.101 g/mL · 1.101 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.431
- Flash point
- 230 °F · >230 °F
- form
- powder to lump to clear liquid
- color
- White or Colorless to Almost white or Almost colorless
- InChI
- 1S/C8H14O5/c1-7(9)12-5-3-11-4-6-13-8(2)10/h3-6H2,1-2H3
- InChIKey
- UBPGILLNMDGSDS-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (11%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 163 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 26-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/18164
Ethanol, 2,2'-oxybis-, diacetate: Does not have an individual approval but may be used under an appropriate group standard
Peroxide Forming Chemical
Diethylene glycol diacetate
D: Other compounds that may form peroxides
Kelly
Hazard Classes and CategoriesSkin Irrit. 2 (11%)
Safety & protection
Protective Action Criteria (PAC)
47 [mg/m3]
510 [mg/m3]
3100 [mg/m3]
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2,2'-oxybis-, 1,1'-diacetate: ACTIVE
Applications
UsesDiethylene glycol diacetate is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
Additional notes
DefinitionChEBI: An acetate ester that is the diacetate obtained by the formal condensation of the two hydroxy groups of diethylene glycol with two molecules of acetic acid respectively.
Suppliers
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Related reactions
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Compound notes
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