Product Name

  • Name

    TRIETHYLENE GLYCOL DIACETATE

  • EINECS 203-846-0
  • CAS No. 111-21-7
  • Density 1,12 g/cm3
  • Solubility 1000g/L at 20℃
  • Melting Point -50ºC
  • Formula C10H18 O6
  • Boiling Point 286ºC
  • Molecular Weight 234.249
  • Flash Point 174ºC
  • Transport Information
  • Appearance
  • Safety Mildly toxic by ingestion and skin contact. Experimental reproductive effects. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes
  • Molecular Structure Molecular Structure of 111-21-7 (TRIETHYLENE GLYCOL DIACETATE)
  • Hazard Symbols
  • Synonyms Ethanol,2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate (9CI);Triethylene glycol,diacetate (6CI,7CI,8CI);1,8-Diacetoxy-3,6-dioxaoctane;Clextral BC 21;Estol1593;NSC 2591;Triglycol diacetate;Triethylene glycol diacetate;
  • PSA 71.06000
  • LogP 0.14580

Synthetic route

acetic anhydride
108-24-7

acetic anhydride

2,2'-[1,2-ethanediylbis(oxy)]bisethanol
112-27-6

2,2'-[1,2-ethanediylbis(oxy)]bisethanol

(ethane-1,2-diylbisoxy)bis(ethane-2,1-diyl) diacetate
111-21-7

(ethane-1,2-diylbisoxy)bis(ethane-2,1-diyl) diacetate

Conditions
ConditionsYield
With phosphorus pentoxide; silica gel at 20℃;93%
anion exchange resin Vionit CS3 at 90 - 95℃; for 2h; Acetylation;86%
oxirane
75-21-8

oxirane

acetic acid
64-19-7

acetic acid

(ethane-1,2-diylbisoxy)bis(ethane-2,1-diyl) diacetate
111-21-7

(ethane-1,2-diylbisoxy)bis(ethane-2,1-diyl) diacetate

acetic acid
64-19-7

acetic acid

2,2'-[1,2-ethanediylbis(oxy)]bisethanol
112-27-6

2,2'-[1,2-ethanediylbis(oxy)]bisethanol

(ethane-1,2-diylbisoxy)bis(ethane-2,1-diyl) diacetate
111-21-7

(ethane-1,2-diylbisoxy)bis(ethane-2,1-diyl) diacetate

Conditions
ConditionsYield
With sulfuric acid; benzene
Ketene
463-51-4

Ketene

2,2'-[1,2-ethanediylbis(oxy)]bisethanol
112-27-6

2,2'-[1,2-ethanediylbis(oxy)]bisethanol

(ethane-1,2-diylbisoxy)bis(ethane-2,1-diyl) diacetate
111-21-7

(ethane-1,2-diylbisoxy)bis(ethane-2,1-diyl) diacetate

Conditions
ConditionsYield
With sulfuric acid

Triethylene glycol, diacetate Chemical Properties

Molecular Structure of Triethylene glycol, diacetate (CAS NO.111-21-7):

EINECS: 203-846-0
IUPAC Name: 2-[2-(2-Acetyloxyethoxy)ethoxy]ethyl acetate  
Molecular Formula: C10H18O6
Molecular Weight: 234.246320 g/mol
XLogP3-AA: -0.3
H-Bond Donor: 0
H-Bond Acceptor: 6
Canonical SMILES: CC(=O)OCCOCCOCCOC(=O)C
InChI: InChI=1S/C10H18O6/c1-9(11)15-7-5-13-3-4-14-6-8-16-10(2)12/h3-8H2,1-2H3
InChIKey: OVOUKWFJRHALDD-UHFFFAOYSA-N
Index of Refraction: 1.432
Molar Refractivity: 55.41 cm3
Molar Volume: 213.2 cm3
Surface Tension: 35 dyne/cm
Density: 1.098 g/cm3
Flash Point: 125.2 °C
Enthalpy of Vaporization: 52.51 kJ/mol
Boiling Point: 286 °C at 760 mmHg
Vapour Pressure: 0.00271 mmHg at 25 °C
Melting Point: -50 °C
Water Solubility: 3.831e+004 mg/L at 25 °C
Refractive Index: 1.4400
BRN: 1789453

Triethylene glycol, diacetate Toxicity Data With Reference

1.    

skn-rbt 500 mg open MLD

     UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 3/27 ,1969.
2.    

orl-rat LD50:22,600 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 30 (1969),470.
3.    

skn-rbt LD50:8 g/kg

     AIHAAP    American Industrial Hygiene Association Journal. 30 (1969),470.

Triethylene glycol, diacetate Consensus Reports

Reported in EPA TSCA Inventory.

Triethylene glycol, diacetate Safety Profile

Safety Information of Triethylene glycol, diacetate (CAS NO.111-21-7):
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes
RTECS: YE4950000
Mildly toxic by ingestion and skin contact. Experimental reproductive effects. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

Triethylene glycol, diacetate Specification

  Triethylene glycol, diacetate with CAS Registry Number of 111-21-7 is also known as Triethylene glycol diacetate ; Triglycol diacetate  ; 2,2'-(Ethylenedioxy)di(ethyl acetate) ; 4-02-00-00215 (Beilstein Handbook Reference) ; AI3-02502 ; Acetic acid, triethylene glycol diester ; Ethanol, 2,2'-ethylenedioxydi-, diacetate ; HSDB 5547 ; NSC 2591 ; TDAC ; Triglycol, diacetate ; 2,2'-(1,2-Ethanediylbis(oxy))bisethanol, diacetate ; 2,2'-(Ethane-1,2-diylbis(oxy))bisethyl diacetate ; Ethanol, 2,2'-((1,2-ethanediyl)bis(oxy))bis-, 1,1'-diacetate ; Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, diacetate . It is incompatible with peroxides, strong oxidants, oxygen scavengers and heavy metal compounds.

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