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CAS No.: | 623-84-7 |
---|---|
Name: | 1,2-Propyleneglycol diacetate |
Article Data: | 51 |
Molecular Structure: | |
Formula: | C7H12O4 |
Molecular Weight: | 160.17 |
Synonyms: | 1,2-Propanediol,diacetate (6CI,7CI,8CI,9CI);1,2-Diacetoxypropane;1,2-Propylene diacetate;1,2-Propylene glycol diacetate;Dowanol PGDA;Methylethylene acetate;Methylethylene diacetate;NSC 75843;Propylene acetate;Propylene diacetate;Propylene glycol diacetate;a-Propylene glycol diacetate; |
EINECS: | 210-817-6 |
Density: | 1.057 g/cm3 |
Melting Point: | -31 °C |
Boiling Point: | 189.1 °C at 760 mmHg |
Flash Point: | 84.3 °C |
Solubility: | 76g/L at 20℃ |
Appearance: | clear colourless liquid |
Safety: | 24/25 |
PSA: | 52.60000 |
LogP: | 0.50110 |
Conditions | Yield |
---|---|
With aluminum oxide at 25℃; for 0.25h; | 98% |
Conditions | Yield |
---|---|
With methanesulfonic acid at 30 - 35℃; for 6h; | 97% |
With sulfonated charcoal In benzene for 6h; Heating; | 95% |
With cobalt(II) chloride at 80℃; for 15h; | 92% |
With phosphotungstic acid; pyridinium propyl sulfobetaine at 105℃; for 2h; | |
With sulfuric acid |
Conditions | Yield |
---|---|
With aluminum oxide; monoaluminum phosphate at 77℃; | 85% |
propylene glycol
acetic anhydride
A
2-hydroxypropyl acetate
B
1,2-diacetoxypropane
Conditions | Yield |
---|---|
yttria-stabilized zirconia In acetonitrile at 40℃; for 10h; | A 76% B 10% |
ZSM-35 zeolite In acetonitrile at 24.85℃; for 24h; |
Conditions | Yield |
---|---|
With sulfuric acid for 0.25h; Heating; | 70% |
Conditions | Yield |
---|---|
With sulfuric acid at 20℃; for 20h; | 49% |
propylene glycol
carbon dioxide
acetonitrile
A
acetamide
B
1,2-propylene cyclic carbonate
C
propane-1,2-diol 2-monoacetate
D
1,2-diacetoxypropane
Conditions | Yield |
---|---|
With [Zn(methylenebis-3,5-dimethylpyrazole)2(CF3SO3)]+(CF3SO3)- at 135℃; under 3750.38 - 30003 Torr; for 16h; Catalytic behavior; Reagent/catalyst; Pressure; Autoclave; | A n/a B 37% C n/a D n/a E n/a |
Conditions | Yield |
---|---|
With zinc(II) triflate at 150℃; for 24h; | 18% |
Conditions | Yield |
---|---|
With sulfuric acid |
Conditions | Yield |
---|---|
With water |
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The Propylene glycol diacetate, with the CAS registry number 623-84-7, is also known as 1,2-Diacetoxypropane. Its EINECS registry number is 210-817-6. This chemical's molecular formula is C7H12O4 and molecular weight is 160.16778. Its IUPAC name is called 2-acetyloxypropyl acetate. This chemical's classification code is Skin / Eye Irritant. This chemical is clear colourless liquid. The product should be sealed and stored in cool, dry place. What's more, it should be protected from strong oxides. When you are using this chemical, please be cautious about it. You must avoid contacting it with skin and eyes. It is widely used as printing ink, paint, plastics, spices and other industrial solvents, such as a delay of car paint solvents and paint baking phenolic resin solvent.
Physical properties of Propylene glycol diacetate: (1)ACD/LogP: 0.29; (2)ACD/LogD (pH 5.5): 0.29; (3)ACD/LogD (pH 7.4): 0.29; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 34.38; (7)ACD/KOC (pH 7.4): 34.38; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.415; (11)Molar Refractivity: 37.98 cm3; (12)Molar Volume: 151.4 cm3; (13)Surface Tension: 31 dyne/cm; (14)Density: 1.057 g/cm3; (15)Flash Point: 84.3 °C; (16)Enthalpy of Vaporization: 42.53 kJ/mol; (17)Boiling Point: 189.1 °C at 760 mmHg; (18)Vapour Pressure: 0.58 mmHg at 25°C.
Preparation: this chemical can be prepared by acetic acid anhydride and propane-1,2-diol. This reaction will need reagent chlorosulfuric acid.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(COC(=O)C)OC(=O)C
(2)InChI: InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3
(3)InChIKey: MLHOXUWWKVQEJB-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | oral | 3420mg/kg (3420mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES | Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941. |
rat | LD50 | oral | 13530mg/kg (13530mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941. |