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| IUPAC Name - | hexyl acetate |
| InChI - | InChI=1/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3 |
| InChIKey - | AOGQPLXWSUTHQB-UHFFFAOYAT |
| SMILES - | CCCCCCOC(=O)C |
| CAS Number : | 142-92-7 |
| (EINECS) Number : | 205-572-7 |
| Beilstein Number : | 1747138 |
| FEMA Number : | 2565 |
| COE Number : | 196 |
| Molar Refractivity : | 40.88 ± 0.3 cm3 (est) |
| Parachor : | 375.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.412 ± 0.02 (est) |
| Surface Tension : | 27.3 ± 3.0 dyne/cm (est) |
| Density : | 0.878 ± 0.06 g/cm3 (est) |
| Polarizability : | 16.20 ± 0.5 10-24cm3 (est) |
| XlogP : | 2.70 (est) |
| Molecular Weight : | 144.2114400 (IUPAC) (PT) (112) |
| Formula : | C8 H16 O2 |
| Pherobase Floral: | view |
| NMR Predictor : | Predict |
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| Category : | flavor and fragrance agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | Hexyl acetate.
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| Fl@vouring Number : | 09.006
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| FDA Mainterm : | HEXYL ACETATE. |
| FDA Regulation. : | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Suppliers :
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| Advanced Biotech : | hexyl acetate
98% min. natural Odor: Floral, Pear |
| Apple : | Hexyl acetate
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| Bell : | Hexyl Acetate
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| Berje : | Hexyl Acetate
FCC |
| Cargill : | n-HEXYL ACETATE
natural, Kosher Odor: Apple, Cherry, Pear, Floral |
| Elan : | hexyl acetate
(natural), Kosher |
| Fleurchem : | hexyl acetate
natural |
| Fontarome : | N-HEXYL ACETATE
Odor: Fruity |
| Frutarom : | HEXYL ACETATE
≥99.00%, NI, Kosher Odor: Fresh, Fruity, Pear, Sweet Suggested Uses: Apple, Cranberry, Hard Fruits, Kiwi, Soft Fruits, Tropical Fruits |
| Grau Aromatics : | HEXYL-ACETATE
FCC, NI, Kosher |
| IFF : | Hexyl Acetate
≥98.00%, natural, Kosher |
| IFF : | Hexyl Acetate
Odor: Fruity, Green, Pear A green, fruity, sweet, aldehydic note reminiscent of pear. |
| Inoue : | HEXYL ACETATE
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| John D. Walsh : | Hexyl Acetate
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| Mane : | hexyl acetate
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| Moellhausen : | hexyl acetate
98% min. nature identical kosher Odor: fresh, fruity, pear note Flavor: sweet, fruity |
| Mooreganics : | Hexyl Acetate
Natural (Organic Compliant) Odor: GREEN, SWEET, FRUITY |
| Natural Advantage : | n-HEXYL ACETATE
natural US 21 CFR 101.22, Kosher Flavor: Sweet, fruity, apple-like Flavor Use: Fruit flavors including Pear, Peach, Apple, Banana.
Use Level: 0.05-25 ppm as consumed in finished goods. |
| Penta : | hexyl acetate
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| Penta : | hexyl acetate
FCC (natural) |
| Robertet : | HEXYL ACETATE
Pure & Nat (EU) |
| SAFC Global® : | Hexyl acetate
≥98%, FCC, Kosher, FG Odor: apple; cherry; floral; pear; sweet |
| SAFC Global® : | Hexyl acetate
≥98%, natural, FCC, Kosher Odor: apple; cherry; floral; pear; sweet |
| Sensient Fragrances : | Hexyl Acetate
Odor: Fruity, green |
| Symrise : | Hexyl acetate
Odor: sweet, fruity, pear-like, somewhat green Flavor: sweet, fruity, estery, similar to pear |
| Symrise : | Hexyl acetate
natural Flavor: fruity, sweet, estery, peely, pear-, banana-like |
| Ungerer : | Hexyl Acetate
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| Vigon : | Acetate C-6
FCC (Hexyl Acetate) |
| Vigon : | Hexyl Acetate
Natural Odor: Green fruity sweet fatty fresh apple pear |
Organoleptics :
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| Odor Type : | fruity |
| Odor Strength : | medium , recommend smelling in a 10.00 % solution or less |
Odor Description: at 10.00 % in dipropylene glycol. | fruity green apple banana sweet Luebke, William tgsc, (1983) |
| Odor sample from : | International Flavors & Fragrances Inc. |
Odor Description:
| Green, fruity, sweet, fatty, fresh, apple and pear Mosciano, Gerard P&F 18, No. 2, 38, (1993) |
Taste Description: at 15.00 ppm. | Fruity, green, fresh, sweet, banana peel, apple and pear Mosciano, Gerard P&F 18, No. 2, 38, (1993) |
| Substantivity : | 5 hour(s) at 100.00 % |
Properties :
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| Appearence : | colorless clear oily liquid |
| Assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| Specific Gravity : | 0.86800 to 0.87600 @ 25.00 °C.
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| Pounds per Gallon - est. : | 7.223 to 7.289
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| Specific Gravity : | 0.86900 to 0.87700 @ 20.00 °C.
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| Pounds per Gallon - est. : | 7.239 to 7.306
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| Refractive Index : | 1.40600 to 1.41100 @ 20.00 °C.
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| Melting Point : | -80.00 °C. @ 760.00 mm Hg
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| Boiling Point : | 170.00 to 172.00 °C. @ 760.00 mm Hg
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| Boiling Point : | 61.00 to 62.00 °C. @ 12.00 mm Hg
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| Acid Value : | 1.00 max. KOH/g
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| Vapor Pressure : | 1.32000 mm/Hg @ 25.00 °C. |
| Vapor Density : | 4.9 ( Air = 1 ) |
| Flash Point : | 132.00 °F. TCC ( 55.56 °C. )
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| logP (o/w) : | 2.83 |
Safety :
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| Most important hazard(s) : | Xi - Irritant |
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R 10 - Flammable. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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| Human Experience : | 4 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
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Oral-Rat 41500.00 ul/kg
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit >5000.00 mg/kg
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| Inhalation Toxicity(LC50) : | |
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Not determined
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Safety in Use :
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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 3200.00 (μg/capita/day) |
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| Recommendation for hexyl acetate fragrance usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| Recommendation for hexyl acetate flavor usage levels up to : |
| | 25.0000 ppm in the flavor.
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Safety References :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 3272 |
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| WGK Germany : | 1 |
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| | hexyl acetate |
| BioActivity Analysis : | 48415198 |
| dtp/nci : | 7323 |
| (EINECS) Number : | 205-572-7 |
| Chemidplus : | 000142927 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 142-92-7 |
| RTECS : | AI0875000 for cas# 142-92-7 |
References :
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| | hexyl acetate |
| NIST Chemistry WebBook : | 194485773 |
| Pubchem : | 152059 |
| Flavornet : | 142-92-7 |
Cosmetics :
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| Cosmetic Uses : |
perfuming agents
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Other :
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| CosIng : | cosmetic data |
| FDA Everything Added to Food in the United States (EAFUS) | View |
| Export Tariff Code : | 2915.39.9050 |
| FMA : | listed |
| RIFM : | listed |
| VCF-Online: | VCF Volatile Compounds in Food |