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| CAS No.: | 625-55-8 |
|---|---|
| Name: | Formic acid isopropyl ester |
| Molecular Structure: | |
|
|
|
| Formula: | C4H8O2 |
| Molecular Weight: | 88.1063 |
| Synonyms: | Formicacid, isopropyl ester (6CI,7CI,8CI);Iso-propyl methanoate;Isopropyl formate; |
| EINECS: | 210-901-2 |
| Density: | 0.884 g/cm3 |
| Melting Point: | -93 °C |
| Boiling Point: | 70.8 °C at 760 mmHg |
| Flash Point: | 7°F |
| Solubility: | slightly soluble in water, completely miscible with alcohol, ether, and most organic solvents. |
| Appearance: | Clear colorless liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-33-36 |
| Transport Information: | UN 1281 |
| PSA: | 26.30000 |
| LogP: | 1.20370 |
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| Conditions | Yield |
|---|---|
| With phosphotungstic acid at 70℃; for 0.75h; | 95% |
| With trifluoromethanesulfonic acid based UiO-67 metal organic framework at 90℃; for 18h; | |
| at 120℃; under 22502.3 Torr; for 4h; Equilibrium constant; Temperature; Concentration; Autoclave; |
| Conditions | Yield |
|---|---|
| With phosphotungstic acid at 70℃; for 0.75h; | 95% |
| Conditions | Yield |
|---|---|
| In dichloromethane for 12h; Ambient temperature; | 92% |
| Conditions | Yield |
|---|---|
| In dichloromethane for 3h; Ambient temperature; | 90% |
| Conditions | Yield |
|---|---|
| With [bis({2‐[bis(propan‐2‐yl)phosphanyl]ethyl})amine](borohydride)(carbonyl)(hydride)iron(II); acetone In toluene at 140℃; under 13689.1 Torr; for 4h; Autoclave; Inert atmosphere; | 83% |
- 536-74-3
phenylacetylene
- 67-63-0
isopropyl alcohol
A
- 625-55-8
isopropyl formate
B
- 939-48-0
isopropyl benzoate
| Conditions | Yield |
|---|---|
| With bis-[(trifluoroacetoxy)iodo]benzene at 60℃; for 15h; Sealed tube; | A n/a B 67% |
| Conditions | Yield |
|---|---|
| With 1H-imidazole for 24h; Ambient temperature; | 62% |
| With 1H-imidazole Yield given; |
| Conditions | Yield |
|---|---|
| With hydrogen fluoride; boron trifluoride at 100℃; |
| Conditions | Yield |
|---|---|
| at 200℃; |
- 24425-00-1
diisopropyl pyrocarbonate
- 625-55-8
isopropyl formate
| Conditions | Yield |
|---|---|
| With pyridine N-oxide In 1,2-dichloro-benzene |
- Total:10 Page 1 of 1 1
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Reported in EPA TSCA Inventory.
Specification
The Isopropyl formate, with the CAS registry number 625-55-8, is also known as Formic acid, 1-methylethyl ester. It belongs to the product categories of Organics; C2 to C5; Carbonyl Compounds; Esters. Its EINECS registry number is 210-901-2. This chemical's molecular formula is C4H8O2 and molecular weight is 88.1051. Its IUPAC name is called propan-2-yl formate. Isopropyl formate is used as a spice for food and it can also be used as a fungicide, disinfectant and bactericide.
Physical properties of Isopropyl formate: (1)ACD/LogP: 0.65; (2)ACD/LogD (pH 5.5): 0.65; (3)ACD/LogD (pH 7.4): 0.65; (4)ACD/BCF (pH 5.5): 1.82; (5)ACD/BCF (pH 7.4): 1.82; (6)ACD/KOC (pH 5.5): 53.51; (7)ACD/KOC (pH 7.4): 53.51; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.373; (11)Molar Refractivity: 22.47 cm3; (12)Molar Volume: 98.6 cm3; (13)Surface Tension: 23.5 dyne/cm; (14)Density: 0.893 g/cm3; (15)Enthalpy of Vaporization: 31.23 kJ/mol; (16)Boiling Point: 70.8 °C at 760 mmHg; (17)Vapour Pressure: 127 mmHg at 25°C.
Preparation of Isopropyl formate: this chemical can be prepared by propan-2-ol and formyloxy-acetonitrile. This reaction will need reagent imidazole. The reaction time is 1 day with ambient temperature. The yield is about 62%.
Uses of Isopropyl formate: it can be used to produce propan-2-ol at temperature of 180 °C. This reaction will need catalyst Ru3(CO)12/P(C4H9)3 and solvent pyridine with reaction time of 10 hours. The yield is about 68%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. You should keep it away from sources of ignition - No smoking. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)OC=O
(2)InChI: InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3
(3)InChIKey: RMOUBSOVHSONPZ-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 1400ug/kg (1.4mg/kg) | "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 4, Pg. 256, 1969. |