Hexyl acetate CAS:142-92-7 Basic information
| Product Name: | Hexyl acetate |
|---|---|
| Synonyms: | C2;CAPROYL ACETATE;CAPRYL ACETATE;FEMA 2565;HEXANYL ACETATE;HEXYL ACETATE;HEXYL ETHANOATE;1-ACETOXY-HEXANE |
| CAS: | 142-92-7 |
| MF: | C8H16O2 |
| MW: | 144.21 |
| EINECS: | 205-572-7 |
| Product Categories: | Pharmaceutical Intermediates;Alcohol Acetates;Biochemicals and Reagents;Building Blocks;C8 to C9;Carbonyl Compounds;Chamaemelum nobile (Chamomile tea);Chemical Synthesis;Esters;Fatty Acyls;Fatty Esters;Lipids;Nutrition Research;Organic Building Blocks;Phy |
| Mol File: | 142-92-7.mol |
Hexyl acetate CAS:142-92-7 Chemical Properties
| density: | 0.87 g/mL at 25 °C(lit.) |
|---|---|
| Melting point: | −80 °C(lit.) |
| Boiling point: | 168-170 °C(lit.) |
| form: | Liquid |
| storage temp.: | 2-8°C |
| Water Solubility: | immiscible |
| refractive index: | n20/D 1.409(lit.) |
| BRN: | 1747138 |
| Fp: | 99 °F |
| solubility: | 0.4g/l |
| NIST Chemistry Reference: | Hexyl ethanoate(142-92-7) |
| vapor pressure: | 5 hPa (20 °C) |
| FEMA: | 2565 | HEXYL ACETATE |
| JECFA Number: | 128 |
| Odor Threshold: | 0.0018ppm |
| CAS DataBase Reference: | 142-92-7(CAS DataBase Reference) |
| EPA Substance Registry System: | Acetic acid, hexyl ester (142-92-7) |
项目 Item | 标准要求 Specification | 检 验 结 果 Result of analysis |
色状 Color shape | 无色液体 Colorless liquid | 符合 Accord |
香 气 Flavor | 果香Fruity | 符合 Accord |
含量（%） ester content（%） | ≥98.0% | 99.41% |
相对密度（25／25℃） Relative density（25／25℃） | 0.868-0.872 | 0.871 |
折光指数（20℃） Refractive index（20℃） | 1.407-1.411 | 1.410 |
| Hexyl acetate Basic information |
| Product Name: | Hexyl acetate |
| Synonyms: | HEXYLACETATE(SG);Hexylacetat;HEXYLACETATE WITH GC;HEXYL ACETATE, NATURAL;Hexvl acetate;1-Hexylethanoate;1-Hexanol acetate;Acetic acid hexyl |
| CAS: | 142-92-7 |
| MF: | C8H16O2 |
| MW: | 144.21 |
| EINECS: | 205-572-7 |
| Product Categories: | Alcohol Acetates;Biochemicals and Reagents;Building Blocks;C8 to C9;Carbonyl Compounds;Chamaemelum nobile (Chamomile tea);Chemical Synthesis;Esters;Fatty Acyls;Fatty Esters;Lipids;Nutrition Research;Organic Building Blocks;Phytochemicals by Plant (Food/Spice/Herb);Pharmaceutical Intermediates |
| Mol File: | 142-92-7.mol |
 | |
| Hexyl acetate Chemical Properties |
| Melting point | −80 °C(lit.) |
| Boiling point | 168-170 °C(lit.) |
| density | 0.87 g/mL at 25 °C(lit.) |
| vapor pressure | 5 hPa (20 °C) |
| refractive index | n20/D 1.409(lit.) |
| FEMA | 2565 | HEXYL ACETATE |
| Fp | 99 °F |
| storage temp. | 2-8°C |
| solubility | 0.4g/l |
| form | Liquid |
| color | Clear colorless to pale yellow |
| Odor Threshold | 0.0018ppm |
| Water Solubility | immiscible |
| JECFA Number | 128 |
| BRN | 1747138 |
| CAS DataBase Reference | 142-92-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Hexyl ethanoate(142-92-7) |
| EPA Substance Registry System | Acetic acid, hexyl ester (142-92-7) |
| Safety Information |
| Risk Statements | 10 |
| Safety Statements | 16 |
| RIDADR | UN 3272 3/PG 3 |
| WGK Germany | 1 |
| RTECS | AI0875000 |
| TSCA | Yes |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29153990 |
| Hazardous Substances Data | 142-92-7(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 36100 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
| MSDS Information |
| Provider | Language |
|---|---|
| Hexyl acetate | English |
| SigmaAldrich | English |
| ACROS | English |
| ALFA | English |
| Hexyl acetate Usage And Synthesis |
| Description | Hexyl acetate has a pleasant fruity odor and bittersweet taste suggestive of pear. May be synthesized from n-hexyl alcohol and excess acetic anhydride at the boil or with an excess of acetic acid in the presence of concentrated sulfuric acid. |
| Chemical Properties | Hexyl acetate has a pleasant fruity, apple, cherry, pear, floral odor and bittersweet taste suggestive of pear. |
| Chemical Properties | Hexyl Acetate is a liquid with a sweet-fruity, pear-like odor. It is present in a number of fruits and alcoholic beverages and is used in fruit aroma compositions. |
| Chemical Properties | clear colorless to pale yellowish liquid |
| Occurrence | Reported found in fruital aromas (e.g., Fragaria vesca) and essential oils. Also reported found in apple, apricot, banana, sweet cherry, citrus peel oils and juices, blueberry, black currants, guava, grapes, melon, peach, pear, raspberry, blackberry, strawberry, peas, sauerkraut, rye bread, cheeses, roasted beef, beer, rum, cognac, whiskies, cider, sherry, grape wines, coffee, tea, soybean, olive, passion fruit, beans, starfruit, mango, cauliflower, pear and apple brandy, quince, origanum, lovage leaf, corn oil, mangosteen (Garcia mangostana), Bourbon vanilla, clary sage, nectarine, naranjilla fruit, Chinese quince and chamomile oil. |
| Uses | Hexyl Acetate is a flavouring agent due to its fruity odor and it is naturally present in many fruits and alcoholic beverages. |
| Definition | ChEBI: The acetate ester of hexan-1-ol. |
| Production Methods | n-Hexyl acetate is prepared from n-hexyl alcohol and excess acetic anhydride or with an excess of acetic acid and concentrated sulfuric acid . Its is also prepared from primary and sec-hexyl alcohols . It is produced by Aldrich Chemical Corp., Milwaukee, WI, and Penta Manufacturing Co., Fairfield, NJ . |
| Preparation | From n-hexyl alcohol and excess acetic anhydride at the boil or with an excess of acetic acid in the presence of concentrated sulfuric acid |
| Aroma threshold values | Detection: 2 to 480 ppb |
| Taste threshold values | Taste characteristics at 15 ppm: fruity, green, fresh, sweet, banana peel, apple and pear. |
| Synthesis Reference(s) | Tetrahedron Letters, 18, p. 3263, 1977 DOI: 10.1016/S0040-4039(01)83213-5 |
| General Description | A colorless liquid with a mild sweet odor. Flash point 113°F. A moderate fire risk. Inhalation may cause adverse effects. Insoluble in water and very soluble in alcohols and ethers. When heated to high temperatures emits acrid smoke and fumes. Used as a solvent and as a propellant in aerosols. |
| Air & Water Reactions | Highly flammable. Insoluble in water. |
| Reactivity Profile | Hexyl acetate 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. |
| Hazard | Combustible. |
| Health Hazard | May be harmful by inhalation, ingestion, or skin absorption. May cause irritation. |
| Fire Hazard | Special Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flash back. Container explosion may occur under fire conditions. Forms explosive mixtures in air. |
| Hexyl acetate Preparation Products And Raw materials |
| Raw materials | Potassium carbonate-->1-Hexanol |
| Preparation Products | Procaine penicillin G |
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