1-Butanol, 3-methyl-, formate
Isoamyl formate
CAS: 110-45-2
Molecular Formula: C6H12O2
1-Butanol, 3-methyl-, formate - Names and Identifiers
| Name | Isoamyl formate |
| Synonyms | Isoamyl formate isoamylmethanoate Isopentyl Formate Isoamyl methanoate 3-methylbutyl formate Natural Isoamyl Formate isopentylalcohol,formate Isopentyl alcohol, formate 1-Butanol, 3-methyl-, formate formicacid3-methyl-butylester IsoaMyl forMate, Mixture of isoMers Iso-Pentylformate,3-Methylbutylformate |
| CAS | 110-45-2 |
| EINECS | 203-769-2 |
| InChI | InChI=1/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3 |
| InChIKey | XKYICAQFSCFURC-UHFFFAOYSA-N |
1-Butanol, 3-methyl-, formate - Physico-chemical Properties
| Molecular Formula | C6H12O2 |
| Molar Mass | 116.16 |
| Density | 0.859 g/mL at 25 °C (lit.) |
| Melting Point | -93°C |
| Boling Point | 123-124 °C (lit.) |
| Flash Point | 86°F |
| JECFA Number | 42 |
| Vapor Presure | 10 mm Hg ( 17.1 °C) |
| Appearance | clear liquid |
| Color | Colorless to Almost colorless |
| Merck | 14,5119 |
| BRN | 1739893 |
| Explosive Limit | 8% |
| Refractive Index | n20/D 1.397(lit.) |
| Physical and Chemical Properties | A colorless, oily, transparent liquid with a special type of plum and black currant that looks sweet, one of the strongest flavors of formic acid esters. Boiling point 124 degrees C, flash point 53 degrees Celsius. Soluble in ethanol, most non-volatile oil, mineral oil and propylene glycol, miscible in ether, insoluble in glycerol, slightly soluble in water (0.3%). Natural products are found in apples, strawberries, rice vinegar, rum, and still wine. |
| Use | For spices and Organic synthesis |
1-Butanol, 3-methyl-, formate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R10 - Flammable R36/37 - Irritating to eyes and respiratory system. |
| Safety Description | S24 - Avoid contact with skin. S2 - Keep out of the reach of children. |
| UN IDs | UN 1109 3/PG 3 |
| WGK Germany | 1 |
| RTECS | NT0185000 |
| HS Code | 29151300 |
| Hazard Class | 3.2 |
| Packing Group | III |
| Toxicity | LD50 orally in rats: 9840 mg/kg, P. M. Jenner et al., Food Cosmet. Toxicol. 2, 327 (1964) |
1-Butanol, 3-methyl-, formate - Reference Information
| FEMA | 2069 | ISOAMYL FORMATE |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | isoamyl formate, also known as Isopentyl formate, exists in nature in apples, strawberries, rice vinegar, rum and still wine. It is a colorless transparent oily liquid. There are plum, plum and black currant-like aroma, slightly sweet, flammable. Isoamyl formate can be used as a fragrance and is one of the strongest of the formates. |
| content analysis | method 1 accurately weigh about 0.5g of sample and determine saponification value (S) according to the method OT-40, then according to the acid value (A) obtained in the following quality index analysis, the content of isoamyl formate is obtained according to the following formula: content (%) = S-A/561.1 × 116.16 method 2 Ester determination method (OT-18) method 1 determination. The amount of the sample was 1G. The equivalence factor (e) in the calculation is taken as 58.08. Method Three according to Gas chromatography (GT-10-4) with non-polar column method. |
| toxicity | ADI 5 mg/kg(CE). LD50 9840 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): Soft drink 8.4; Cold drink 14; Candy 22; Baked goods 16; pudding 2.0~28; Gum 250. Moderate limits (FDA § 172.515,2000). |
| Use | GB 2760-96 specifies the permitted use of flavorants. Mainly used in the preparation of apple, cherry, almond, grape, banana, apricot, plum, peach, walnut and other fruit flavor. for the preparation of a variety of edible fruit flavor, appropriate for daily cosmetic flavor. It is also used as a solvent for resins and fiber esters. for fragrance and organic synthesis |
| production method | isoamyl alcohol and sulfuric acid were added to formic acid and esterified. obtained by esterification of isoamyl alcohol (or fusel oil) with sodium formate in the presence of concentrated sulfuric acid followed by fractionation. |
| category | flammable liquid |
| toxicity grade | low toxicity |
| Acute toxicity | oral-rat LD50: 9840 mg/kg |
| stimulation data | Skin-rabbit 500 mg/24 h |
| flammability hazard characteristics | in case of open flame, high temperature, flammable oxidant; Combustion stimulus smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant |
| extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent |
Last Update：2024-04-09 19:05:07
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