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Propylene glycol diacetate

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Name

Propylene glycol diacetate

EINECS 210-817-6
CAS No. 623-84-7 Density 1.057 g/cm3
PSA 52.60000 LogP 0.50110
Solubility 76g/L at 20℃ Melting Point -31 °C
Formula C7H12O4 Boiling Point 189.1 °C at 760 mmHg
Molecular Weight 160.17 Flash Point 84.3 °C
Transport Information N/A Appearance clear colourless liquid
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 623-84-7 (1,2-Propyleneglycol diacetate) Hazard Symbols N/A
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;

Article Data 51

Propylene glycol diacetate Synthetic route

57-55-6

propylene glycol

75-36-5

acetyl chloride

623-84-7

1,2-diacetoxypropane

Conditions
ConditionsYield
With aluminum oxide at 25℃; for 0.25h;98%
57-55-6

propylene glycol

64-19-7

acetic acid

623-84-7

1,2-diacetoxypropane

Conditions
ConditionsYield
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
57-55-6

propylene glycol

141-78-6

ethyl acetate

623-84-7

1,2-diacetoxypropane

Conditions
ConditionsYield
With aluminum oxide; monoaluminum phosphate at 77℃;85%
57-55-6

propylene glycol

108-24-7

acetic anhydride

A

627-69-0

2-hydroxypropyl acetate

B

623-84-7

1,2-diacetoxypropane

Conditions
ConditionsYield
yttria-stabilized zirconia In acetonitrile at 40℃; for 10h;A 76%
B 10%
ZSM-35 zeolite In acetonitrile at 24.85℃; for 24h;
57-55-6

propylene glycol

108-24-7

acetic anhydride

623-84-7

1,2-diacetoxypropane

Conditions
ConditionsYield
With sulfuric acid for 0.25h; Heating;70%
108-24-7

acetic anhydride

75-56-9, 16033-71-9

methyloxirane

623-84-7

1,2-diacetoxypropane

Conditions
ConditionsYield
With sulfuric acid at 20℃; for 20h;49%
57-55-6

propylene glycol

124-38-9

carbon dioxide

75-05-8

acetonitrile

A

60-35-5

acetamide

B

108-32-7

1,2-propylene cyclic carbonate

C

6214-01-3

propane-1,2-diol 2-monoacetate

D

623-84-7

1,2-diacetoxypropane

E

1-(1-Hydroxy-ethoxy)-propan-2-ol

Conditions
ConditionsYield
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
108-24-7

acetic anhydride

poly(propylene oxide)

poly(propylene oxide)

623-84-7

1,2-diacetoxypropane

Conditions
ConditionsYield
With zinc(II) triflate at 150℃; for 24h;18%
463-51-4

Ketene

57-55-6

propylene glycol

623-84-7

1,2-diacetoxypropane

Conditions
ConditionsYield
With sulfuric acid
26198-63-0, 78-87-5

1,2-Dichloropropane

127-09-3

sodium acetate

623-84-7

1,2-diacetoxypropane

Conditions
ConditionsYield
With water

Propylene glycol diacetate Consensus Reports

Reported in EPA TSCA Inventory.

Propylene glycol diacetate Specification

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.

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