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111-21-7

Basic Information
CAS No.: 111-21-7
Name: TRIETHYLENE GLYCOL DIACETATE
Molecular Structure:
Molecular Structure of 111-21-7 (TRIETHYLENE GLYCOL DIACETATE)
Formula: C10H18 O6
Molecular Weight: 234.249
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;
EINECS: 203-846-0
Density: 1,12 g/cm3
Melting Point: -50ºC
Boiling Point: 286ºC
Flash Point: 174ºC
Solubility: 1000g/L at 20℃
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.
PSA: 71.06000
LogP: 0.14580
Synthetic route
108-24-7

acetic anhydride

112-27-6

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

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%
75-21-8

oxirane

64-19-7

acetic acid

111-21-7

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

64-19-7

acetic acid

112-27-6

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

111-21-7

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

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

Ketene

112-27-6

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

111-21-7

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

Conditions
ConditionsYield
With sulfuric acid
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Chemistry

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

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.

Consensus Reports

Reported in EPA TSCA Inventory.

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.

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.