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| Name |
Triethylene glycol, diacetate |
EINECS | 203-846-0 |
| CAS No. | 111-21-7 | Density | 1,12 g/cm3 |
| PSA | 71.06000 | LogP | 0.14580 |
| Solubility | 1000g/L at 20℃ | Melting Point |
-50ºC |
| Formula | C10H18 O6 | Boiling Point | 286ºC |
| Molecular Weight | 234.249 | Flash Point | 174ºC |
| Transport Information | N/A | Appearance | N/A |
| 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 | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Triethylene glycol, diacetate 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 | Yield |
|---|---|
| With phosphorus pentoxide; silica gel at 20℃; | 93% |
| anion exchange resin Vionit CS3 at 90 - 95℃; for 2h; Acetylation; | 86% |
- 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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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