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| CAS No.: | 542-55-2 |
|---|---|
| Name: | Isobutyl formate |
| Article Data: | 27 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H10 O2 |
| Molecular Weight: | 102.133 |
| Synonyms: | Formicacid, isobutyl ester (6CI,7CI,8CI); 2-Methylpropyl formate; Iso-butylmethanoate; Isobutyl formate; NSC 6968; Tetryl formate |
| EINECS: | 208-818-1 |
| Density: | 0.885 g/mL at 25 °C(lit.) |
| Melting Point: | -96 °C |
| Boiling Point: | 98.4 °C(lit.) |
| Flash Point: | 50 °F |
| Solubility: | Soluble in water |
| Appearance: | COLORLESS LIQUID |
| Hazard Symbols: |
 F Xi
|
| Risk Codes: | 11-34 |
| Safety: | Moderately toxic by ingestion. A very dangerous fire hazard when exposed to heat, open flame, or oxidizers. A moderate explosion hazard when exposed to heat or flame. To fight fire, use water spray, foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS. |
| Transport Information: | UN 2393 3 |
| PSA: | 26.30000 |
| LogP: | 1.45130 |
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Chemistry
IUPAC Name: Isobutyl formate
CAS: 542-55-2
EINECS: 208-818-1
Product Categories: C2 to C5 ; Carbonyl Compounds ; Esters ; Alphabetical Listings ; Flavors and Fragrances ; I-L .
Following is the Molecular Structure of Isobutyl formate (542-55-2):
SMILES: O=COCC(C)C
InChI: InChI=1/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3
InChIKey: AVMSWPWPYJVYKY-UHFFFAOYAG
Std. InChI: InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3
Std. InChIKey: AVMSWPWPYJVYKY-UHFFFAOYSA-N
Molecular Formula: C5H10O2
Molecular Weight: 102.13
Melting Point: -96℃
Boiling Point: 99.5℃ at 760mmHg
Flash Point: 10℃
Molar Volume: 115.1cm3
Density: 0.887g/cm3
Index of Refraction: 1.386
Molar Refractivity: 27.1cm3
Surface Tension: 24.8dyne/cm
Polarizability: 10.74 10-24cm3
Enthalpy of Vaporization: 33.88kJ/mol
Vapour Pressure: 38.2mmHg at 25℃
Uses
Used as a solvent and to make perfumes.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | oral | 3064mg/kg (3064mg/kg) | Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
F Flammable, 
C Corrosive.
Risk Statements: 11-34
R11: Highly Flammable.
R34: Causes burns.
Safety Statements 16-26-33-36/37/39-45
S16: Keep away from sources of ignition-No smoking.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S33: Take precautionary measures against static discharges.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
RIDADR: UN 2393 3/PG 2
WGK: Germany 2
RTECS: LQ8650000
HazardClass: 3.1
PackingGroup: II
Moderately toxic by ingestion. A very dangerous fire hazard when exposed to heat, open flame, or oxidizers. A moderate explosion hazard when exposed to heat or flame.
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid.
Specification
Isobutyl formate (542-55-2),which also can be called for 2-Methyl-1-propyl formate ; 2-Methyl-1-propylformate ; 2-Methylpropylmethanoate ; Formic acid,2-methylpropyl ester ; Formicacid,2-methylpropylester ; Formicacid2-methylpropylester ; Isobutylester kyseliny mravenci ; Isobutylesterkyselinymravenci .When Isobutyl formate (542-55-2) was heated,it emits acrid smoke and fumes. Isobutyl formate (542-55-2) is a clear colourless to light yellow liquid and it's vapors may be narcotic and irritating in high concentrations.It's soluble in water.Be attention of this chemical is highly flammable.