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Isopropyl formate

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Name

Isopropyl formate

EINECS 210-901-2
CAS No. 625-55-8 Density 0.884 g/cm3
PSA 26.30000 LogP 1.20370
Solubility slightly soluble in water, completely miscible with alcohol, ether, and most organic solvents. Melting Point -93 °C
Formula C4H8O2 Boiling Point 70.8 °C at 760 mmHg
Molecular Weight 88.1063 Flash Point 7°F
Transport Information UN 1281 Appearance Clear colorless liquid
Safety 16-33-36 Risk Codes 11-36/37/38
Molecular Structure Molecular Structure of 625-55-8 (Formic acid isopropyl ester) Hazard Symbols FlammableF,IrritantXi
Synonyms

Formicacid, isopropyl ester (6CI,7CI,8CI);Iso-propyl methanoate;Isopropyl formate;

Article Data 33

Isopropyl formate Synthetic route

64-18-6

formic acid

67-63-0

isopropyl alcohol

625-55-8

isopropyl formate

Conditions
ConditionsYield
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;
67-63-0

isopropyl alcohol

109-94-4

formic acid ethyl ester

625-55-8

isopropyl formate

Conditions
ConditionsYield
With phosphotungstic acid at 70℃; for 0.75h;95%
74885-84-0

2-oxopyridine-1(2H)-carbaldehyde

67-63-0

isopropyl alcohol

625-55-8

isopropyl formate

Conditions
ConditionsYield
In dichloromethane for 12h; Ambient temperature;92%
74885-83-9

1-Formyl-4(1H)-pyridinon

67-63-0

isopropyl alcohol

625-55-8

isopropyl formate

Conditions
ConditionsYield
In dichloromethane for 3h; Ambient temperature;90%
67-56-1

methanol

67-63-0

isopropyl alcohol

625-55-8

isopropyl formate

Conditions
ConditionsYield
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
ConditionsYield
With bis-[(trifluoroacetoxy)iodo]benzene at 60℃; for 15h; Sealed tube;A n/a
B 67%
150760-95-5

formic acid cyanomethyl ester

67-63-0

isopropyl alcohol

625-55-8

isopropyl formate

Conditions
ConditionsYield
With 1H-imidazole for 24h; Ambient temperature;62%
With 1H-imidazole Yield given;
64-18-6

formic acid

625-55-8

isopropyl formate

Conditions
ConditionsYield
With hydrogen fluoride; boron trifluoride at 100℃;
107-31-3

Methyl formate

67-63-0

isopropyl alcohol

625-55-8

isopropyl formate

Conditions
ConditionsYield
at 200℃;
24425-00-1

diisopropyl pyrocarbonate

625-55-8

isopropyl formate

Conditions
ConditionsYield
With pyridine N-oxide In 1,2-dichloro-benzene

Isopropyl formate Consensus Reports

Reported in EPA TSCA Inventory.

Isopropyl formate 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%.

Isopropyl formate can be prepared by propan-2-ol and formyloxy-acetonitrile

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%.

Isopropyl formate can be used to produce propan-2-ol at temperature of 180 °C

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.

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