Hexyl acetate
Hexyl acetate
CAS: 142-92-7;88230-35-7
Molecular Formula: C8H16O2
Hexyl acetate - Names and Identifiers
| Name | Hexyl acetate |
| Synonyms | octanoate Hexylacetat Hexvl acetate Hexyl acetate caproyl acetate n-Hexyl acetate 1-Hexylethanoate HEXYLACETATE(SG) Acetic acid hexyl 1-Hexanol acetate HEXYLACETATE WITH GC HEXYL ACETATE, NATURAL Acetic acid n-hexyl ester |
| CAS | 142-92-7 88230-35-7 |
| EINECS | 205-572-7 |
| InChI | InChI=1/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1 |
Hexyl acetate - Physico-chemical Properties
| Molecular Formula | C8H16O2 |
| Molar Mass | 144.21 |
| Density | 0.87 g/mL at 25 °C (lit.) |
| Melting Point | -80 °C (lit.) |
| Boling Point | 168-170 °C (lit.) |
| Flash Point | 99°F |
| JECFA Number | 128 |
| Water Solubility | immiscible |
| Solubility | 0.4g/l |
| Vapor Presure | 5 hPa (20 °C) |
| Appearance | Liquid |
| Color | Clear colorless to pale yellow |
| BRN | 1747138 |
| Storage Condition | Store below +30°C. |
| Refractive Index | n20/D 1.409(lit.) |
| Physical and Chemical Properties | Characteristics of colorless transparent liquid, with strong fruit flavor. melting point -80.9 ℃ boiling point 171.5 ℃ relative density 0.8779 refractive index 1.4092 flash point 37 ℃ solubility, ether and other organic solvents, insoluble in water. |
Hexyl acetate - Risk and Safety
| Risk Codes | 10 - Flammable |
| Safety Description | 16 - Keep away from sources of ignition. |
| UN IDs | UN 3272 3/PG 3 |
| WGK Germany | 1 |
| RTECS | AI0875000 |
| TSCA | Yes |
| HS Code | 29153990 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 36100 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
Hexyl acetate - Upstream Downstream Industry
| Downstream Products | procaine penicillin |
Hexyl acetate - Reference Information
| FEMA | 2565 | HEXYL ACETATE |
| olfactory Threshold | 0.0018ppm |
| LogP | 3.3 at 30℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | hexyl acetate natural products are found in apples and strawberry, colorless, transparent, oily liquid, with pear and apple-like aroma, it has a pear-like sour and sweet taste. Is China's GB2760-1996 regulations allow the use of edible spices, modulation of pear, apple and other fruit flavor; Also used as cosmetics spices; Organic synthesis intermediates. Hexyl acetate is recognized by FEMA as GRAS,FEMA No. 2565 and is approved by the FDA for use in food, and the European Council also lists it in the list of artificial flavors that can be used in food and are not harmful to human health, daily tolerable ADI value was 1 mg/kg. Hexyl acetate may be used in food flavor formulations. |
| assay | was determined by method one in the ester determination method (OT-18). The amount of the sample was 1.1g. The equivalence factor (e) in the calculation is taken as 72.10. Or according to the GT-10-4 gas chromatography non-polar column method. |
| toxicity | GRAS(FEMA). LD50 42g/kg (rat, oral). |
| usage limit | FEMA(mg/kg): Soft drink 4.6; Cold drink 4.6; Candy 26; Baked goods 26; gum 3.0. Moderate limits (FDA § 172.515,2000). |
| Use | hexyl acetate has fruit flavor and is used in the consumption of fruit flavor. It is also used in organic synthesis. GB 2760-96 provides for the permitted use of flavorants. Mainly used for the preparation of apple, pear and other fruit flavor; Ethyl acetate with fruit flavor, used in edible fruit flavor, also used in organic synthesis. |
| production method | is obtained by esterification of acetic acid and hexanol. 23kg of N-hexanol, 15kg of acetic acid, 18kg of benzene and 250g of sulfuric acid were added to a glass-lined reaction pan. The mixture was heated to reflux slowly, and benzene was separated by condensation in an oil-water separator and refluxed into a reaction pan. After about 2H, when the refluxing benzene is clear, the moisture has been removed. The benzene was distilled off and recycled. The residue was crude and washed several times with 5% sodium carbonate solution and then with water. After drying with anhydrous potassium carbonate, Fractionation was carried out, and the 170-173 ° C. Fraction was collected to obtain a finished product. obtained by boiling reaction of N-hexanol with excess acetic anhydride (or with excess acetic acid in the presence of concentrated sulfuric acid). |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | inhalation-rat LC50:32000 PPM/4 hours; Inhalation-mouse LC50:34g/m3/4 h |
| stimulation data | Skin-rabbits 500 mg/24 h mild; eye-rabbit 100 mg/24 h moderate |
| explosive hazard characteristics | explosive when mixed with air |
| 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 |
| Occupational Standard | TWA 610 mg/m3; Tel 760 mg/m3 |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:04
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Downstream Products for Hexyl acetate