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Basic Information
| CAS No.: | 108-21-4 |
|---|---|
| Name: | Isopropyl acetate |
| Article Data: | 174 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H10O2 |
| Molecular Weight: | 102.133 |
| Synonyms: | Aceticacid, isopropyl ester (6CI,8CI);1-Methylethyl acetate;2-Acetoxypropane;2-Propyl acetate;ISOPROPYL ACETATE(IPAC); |
| EINECS: | 203-561-1 |
| Density: | 0.888 g/cm3 |
| Melting Point: | -73 ºC |
| Boiling Point: | 88.6 ºC at 760 mmHg |
| Flash Point: | 16.7 ºC |
| Solubility: | 2.90 g/100 mL in water |
| Appearance: | colourless liquid with a fruity odour |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-26-36 |
| Transport Information: | UN 1220 3/PG 2 |
| PSA: | 26.30000 |
| LogP: | 0.95790 |
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Isopropyl acetate
Specification
Isopropyl acetate(CAS NO.108-21-4) is a solvent with a wide variety of manufacturing uses that is miscible with most other organic solvents, and moderately soluble in water. It has the Synonyms of 1-Methylethylethanoate; 2-Methylethylethanoate; 2-Propyl acetate; 2-propylacetate; 2-propylethanoate; Acetate d'isopropyle. It is used as a solvent for cellulose, plastics, oil and fats. Isopropyl acetate is a component of some printing inks and perfumes.
Physical properties about Isopropyl acetate are: (1)ACD/LogP: 1.139; (2)ACD/LogD (pH 5.5): 1.14; (3)ACD/LogD (pH 7.4): 1.14; (4)ACD/BCF (pH 5.5): 4.32; (5)ACD/BCF (pH 7.4): 4.32; (6)ACD/KOC (pH 5.5): 99.20; (7)ACD/KOC (pH 7.4): 99.20; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.385; (11)Molar Refractivity: 26.947 cm3; (12)Molar Volume: 114.928 cm3; (13)Polarizability: 10.683 10-24cm3; (14)Surface Tension: 23.5559997558594 dyne/cm; (15)Density: 0.889 g/cm3; (16)Flash Point: 16.667 °C; (17)Enthalpy of Vaporization: 32.873 kJ/mol; (18)Boiling Point: 88.623 °C at 760 mmHg; (19)Vapour Pressure: 60.6650009155273 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3;
(2)InChIKey=JMMWKPVZQRWMSS-UHFFFAOYSA-N;
(3)SmilesC(OC(=O)C)(C)C;
The toxicity data is as follows:
Physical properties about Isopropyl acetate are: (1)ACD/LogP: 1.139; (2)ACD/LogD (pH 5.5): 1.14; (3)ACD/LogD (pH 7.4): 1.14; (4)ACD/BCF (pH 5.5): 4.32; (5)ACD/BCF (pH 7.4): 4.32; (6)ACD/KOC (pH 5.5): 99.20; (7)ACD/KOC (pH 7.4): 99.20; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.385; (11)Molar Refractivity: 26.947 cm3; (12)Molar Volume: 114.928 cm3; (13)Polarizability: 10.683 10-24cm3; (14)Surface Tension: 23.5559997558594 dyne/cm; (15)Density: 0.889 g/cm3; (16)Flash Point: 16.667 °C; (17)Enthalpy of Vaporization: 32.873 kJ/mol; (18)Boiling Point: 88.623 °C at 760 mmHg; (19)Vapour Pressure: 60.6650009155273 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3;
(2)InChIKey=JMMWKPVZQRWMSS-UHFFFAOYSA-N;
(3)SmilesC(OC(=O)C)(C)C;
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| human | TCLo | inhalation | 200ppm (200ppm) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | AMA Archives of Industrial Health. Vol. 21, Pg. 28, 1960. |
| human | TCLo | unreported | 200ppm (200ppm) | SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE | Journal of Industrial Hygiene and Toxicology. Vol. 28, Pg. 262, 1946. |
| rabbit | LD50 | oral | 6946mg/kg (6946mg/kg) | Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. | |
| rabbit | LD50 | skin | > 20mL/kg (20mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| rat | LC50 | inhalation | 50600mg/m3/8H (50600mg/m3) | American Industrial Hygiene Association Journal. Vol. 20, Pg. 364, 1959. | |
| rat | LD | intraperitoneal | > 174mg/kg (174mg/kg) | Journal of Surgical Research. Vol. 53, Pg. 572, 1992. | |
| rat | LD50 | oral | 6750mg/kg (6750mg/kg) | Union Carbide Data Sheet. Vol. 3/24/1970, | |
| rat | LDLo | intravenous | 174mg/kg (174mg/kg) | Journal of Surgical Research. Vol. 53, Pg. 572, 1992. |