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| CAS No.: | 1838-59-1 |
|---|---|
| Name: | ALLYL FORMATE |
| Article Data: | 33 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H6 O2 |
| Molecular Weight: | 86.0904 |
| Synonyms: | Allylalcohol, formate (6CI); Formic acid, 2-propenyl ester (9CI); Formic acid, allylester (7CI,8CI); Allyl formate; NSC 4735 |
| Density: | 0.922g/cm3 |
| Melting Point: | -84.81°C (estimate) |
| Boiling Point: | 84.5°Cat760mmHg |
| Flash Point: | 6.5°C |
| Appearance: | colorless to yellowish liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | R36/37/38 |
| Safety: | Poison by ingestion. Moderately toxic by inhalation. Very flammable and reactive. Dangerous fire hazard. See also ALLYL COMPOUNDS and ESTERS. When heated to decomposition it yields irritating smoke and fumes. |
| PSA: | 26.30000 |
| LogP: | 0.98130 |
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Chemistry
IUPAC Name: 3-isocyanatoprop-1-ene
Molecular Weight: 83.0886 g/mol
Molecular Formula: C4H5NO
Density: 0.922 g/cm3
Boiling Point: 84.5 °C at 760 mmHg
Flash Point: 6.5 °C
Appreance: a colorless liquid
Water solubility: soluble in water
Index of Refraction: 1.392
Molar Refractivity: 22.23 cm3
Molar Volume: 93.3 cm3
Polarizability: 8.81*10-24 cm3
Surface Tension: 25 dyne/cm
Enthalpy of Vaporization: 32.49 kJ/mol
Vapour Pressure: 72.2 mmHg at 25 °C
XLogP3-AA: 1.8
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 83.037114
MonoIsotopic Mass: 83.037114
Topological Polar Surface Area: 29.4
Heavy Atom Count: 6
Complexity: 81.5
Canonical SMILES: C=CCN=C=O
InChI: InChI=1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2
InChIKey: HXBPYFMVGFDZFT-UHFFFAOYSA-N
EINECS: 217-413-9
Synonyms of Allyl formate (1838-59-1) : 2-Propenyl ester of formic acid ; 2-Propenylformate ; Allylester kyseliny mravenci ; Allylesterkyselinymravenci ; Formic acid , allyl ester ; Formicacid , 2-propenylester ; formicacid , allylester
Toxicity Data With Reference
| 1. | ihl-rat LC50:980 mg/m3 | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 28 (6)(1984),55. | ||
| 2. | orl-mus LD50:96 mg/kg | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 28 (6)(1984),55. | ||
| 3. | ihl-mus LC50:610 mg/m3 | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 28 (6)(1984),55. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by ingestion. Moderately toxic by inhalation. Very flammable and reactive. Dangerous fire hazard. See also ALLYL COMPOUNDS and ESTERS. When heated to decomposition it yields irritating smoke and fumes.
RIDADR: 2336
HazardClass: 3.1
PackingGroup: I
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid, Poison
Specification
Reactivity Profile: Allyl formate (1838-59-1) is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Health Hazard: Allyl formate (1838-59-1) is toxic; May be fatal if inhaled, ingested or absorbed through skin. Inhalation or contact with some of these materials will irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
Fire Hazard: Allyl formate (1838-59-1) is highly flammable. Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion and poison hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.