Diethylene glycol, diacetate

IUPAC: 2-(2-acetyloxyethoxy)ethyl acetate

CAS 628-68-2 C8H14O5

Diethylene glycol, diacetate (CAS 628-68-2) is a chemical compound with molecular formula C8H14O5 and molecular weight 190.19 g/mol . GHS signal word: Warning. Hazard classifications: Health Hazard.

What is Diethylene glycol, diacetate?

Molecular Formula
C8H14O5
Molecular Weight
190.19 g/mol
Melting Point
18 °C
Boiling Point
200 °C @760 [mm Hg]
Density
1.1068 @25 °C

Description

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.

Structure Identifiers

SMILES
CC(=O)OCCOCCOC(=O)C
InChI
InChI=1S/C8H14O5/c1-7(9)12-5-3-11-4-6-13-8(2)10/h3-6H2,1-2H3
InChIKey
UBPGILLNMDGSDS-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
190.0841 Da
XLogP
-0.10
TPSA
61.8 Ų
H-Bond Donors
0
H-Bond Acceptors
5
Complexity
148
Formal Charge
0

Safety information

Signal Word

Warning

GHS Pictograms

GHS pictogram: Health Hazard GHS07

Hazard Statements

  • H315 Causes skin irritation

Precautionary Statements

  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P264 Wash thoroughly after handling
  • P271 Use only outdoors or in a well-ventilated area
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P302+P352 IF ON SKIN: Wash with soap and water
  • P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
  • P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P403+P233 Store in a well-ventilated place. Keep container tightly closed
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (52)

  • D1230
  • D84632
  • FD62557
  • NSC6310
  • 628-68-2
  • DA-56518
  • NSC 6310
  • NSC-6310
  • 211-049-4
  • AI3-01458
  • Q27159547
  • SBB060704
  • 9OA65529VT
  • CS-0147716
  • HY-W096085
  • NS00015594
  • orb3133107
  • ST50410525
  • BRN 1777856
  • CHEBI:87344
  • MFCD00026211
  • AKOS003625013
  • SCHEMBL853024
  • DTXSID90879242
  • RefChem:133493
  • DTXCID401017256
  • UNII-9OA65529VT
  • EINECS 211-049-4
  • Diglykol-diacetat
  • Diglycol, diacetate
  • Oxydiethylene acetate
  • Oxybis(2-ethyl Acetate)
  • Bis(2-acetoxyethyl) ether
  • Diethyleneglycoldiacetate
  • Oxydiethylene di(acetate)
  • Diethyleneglycol diacetate
  • Diethylene glycol diacetate
  • oxydiethan-2,1-diyldiacetat
  • Diethylene glycol, diacetate
  • ETHANOL,2,2-OXYBIS-DIACETATE
  • Ethanol,2'-oxybis-, diacetate
  • Diethyleneglycol diacetate, 97%
  • 2-(2-acetoxyethoxy)ethyl acetate
  • Acetic acid, oxydiethylene ester
  • Ethanol, 2,2'-oxybis-, diacetate
  • oxydi(ethane-2,1-diyl) diacetate
  • 2-(2-acetyloxyethoxy)ethyl acetate
  • 2-[2-(Acetyloxy)ethoxy]ethyl acetate
  • Ethanol, 2,2'-oxybis-, 1,1'-diacetate
  • 2-[2-(Acetyloxy)ethoxy]ethyl acetate #
Show 2 more names
  • 4-02-00-00216 (Beilstein Handbook Reference)
  • acetic acid 2-(2-acetoxy-ethoxy)-ethyl ester

Frequently asked questions

What is the CAS number of Diethylene glycol, diacetate?

The CAS Registry Number for Diethylene glycol, diacetate is 628-68-2.

What is the IUPAC name of Diethylene glycol, diacetate?

The IUPAC name of Diethylene glycol, diacetate is 2-(2-acetyloxyethoxy)ethyl acetate.

What is the molecular formula of Diethylene glycol, diacetate?

Diethylene glycol, diacetate has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol.

What is the SMILES notation for Diethylene glycol, diacetate?

The SMILES notation for Diethylene glycol, diacetate is CC(=O)OCCOCCOC(=O)C.

What is the melting point of Diethylene glycol, diacetate?

The melting point of Diethylene glycol, diacetate is 18 °C.

What is the boiling point of Diethylene glycol, diacetate?

The boiling point of Diethylene glycol, diacetate is 200 °C @760 [mm Hg].

What is the density of Diethylene glycol, diacetate?

The density of Diethylene glycol, diacetate is 1.1068 @25 °C.

Is Diethylene glycol, diacetate hazardous?

Diethylene glycol, diacetate carries the following GHS hazard classifications: Health Hazard. Signal word: Warning.

What are other names for Diethylene glycol, diacetate?

Diethylene glycol, diacetate is also known as 2-(2-acetoxyethoxy)ethyl acetate, 2-(2-acetyloxyethoxy)ethyl acetate, 2-[2-(Acetyloxy)ethoxy]ethyl acetate, 2-[2-(Acetyloxy)ethoxy]ethyl acetate #, 211-049-4.

Data sourced from PubChem CID 69411. Last updated .

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