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| IUPAC name : | ethyl octanoate |
| InChI : | InChI=1/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3 |
| InChIKey : | YYZUSRORWSJGET-UHFFFAOYAU |
| SMILES : | CCCCCCCC(=O)OCC |
| cas number : | 106-32-1 |
| (EINECS) number : | 203-385-5 |
| beilstein number : | 1754470 |
| fema number : | 2449 |
| coe number : | 392 |
| jecfa number : | 33 |
| fl. number : | 09.111 |
| molar refractivity : | 50.15 ± 0.3 cm3 |
| parachor : | 454.7 ± 4.0 cm3 |
| index of refraction : | 1.422 ± 0.02 |
| surface tension : | 28.3 ± 3.0 dyne/cm |
| density : | 0.874 ± 0.06 g/cm3 |
| polarizability : | 19.88 ± 0.5 10-24cm3 |
| XlogP : | 3.80 |
| molecular weight : | 172.2646000 (IUPAC) |
| formula : | C10 H20 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.90.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Advanced Biotech : | ethyl caprylate
98% min. natural Odor: Apricot, Floral, Wine |
| Berje : | Ethyl Caprylate
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| Cargill - Alfrebro : | ETHYL CAPRYLATE (EU NAT)
natural, Kosher |
| Cargill - Alfrebro : | ETHYL CAPRYLATE ex Fusel Oil (EU NAT)
natural, Kosher |
| Fleurchem : | ethyl caprylate
natural |
| Frutarom : | ETHYL OCTANOATE (ETHYL CAPRYLATE)
≥99.00%, NI, Kosher Odor: Floral, Fruity, Sweet, Vinous, Waxy |
| Frutarom : | NATURAL ETHYL OCTANOATE
≥98.00%, natural, Kosher Odor: Floral, Fruity, Sweet, Vinous, Waxy |
| Grau Aromatics : | ETHYL-CAPRYLATE (ETHYL-OCTANOATE)
FCC, NI, Kosher |
| Mane : | ethyl caprylate
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| Moellhausen : | ethyl octanoate
98% min. nature identical kosher |
| Mooreganics : | Ethyl Caprylate (Octanoate)
Natural (Organic Compliant) |
| Penta : | ethyl caprylate
natural |
| Penta : | ethyl octanoate
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| Robertet : | Ethyl octanoate
naturel |
| Sigma-Aldrich-SAFC : | Ethyl octanoate
≥98%, FCC, Kosher, FG Odor: apricot; floral; pear; pineapple |
| Sigma-Aldrich-SAFC : | Ethyl octanoate
≥98%, natural, FCC Odor: apricot; floral; pear; pineapple |
| Symrise : | Ethyl caprylate
Odor: fruity like pineapple and apple, brandy nuance Flavor: soapy, brandy, apple |
| Ungerer : | Ethyl Caprylate
(Ethyl Octanoate) |
| Vigon : | Ethyl Caprylate Ethyl Octanoate
FCC |
| Vigon : | Ethyl Caprylate Ethyl Octanoate
Natural |
organoleptics :
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| odor type : | waxy |
| odor strength : | medium |
odor description :¹ at 100.00 %. | fruity wine waxy sweet apricot banana brandy pear |
| odor sample from : | Fritzsche Dodge & Olcott, Inc. |
| substantivity : | 4 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.86500 to 0.86800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.198 to 7.223
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| refractive index : | 1.41700 to 1.41900 @ 20.00 °C.
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| melting point : | -48.00 to -47.00 °C. @ 760.00 mm Hg
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| boiling point : | 206.00 to 208.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 0.21100 mm/Hg @ 25.00 °C. |
| vapor density : | 5.9 ( Air = 1 ) |
| flash point : | 167.00 °F. TCC ( 75.00 °C. )
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| logP (o/w) : | 3.81 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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 : | 2 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat 25960.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for ethyl octanoate usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for ethyl octanoate usage levels up to : |
| | 60.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | ethyl octanoate
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| (EINECS) number : | 203-385-5 |
| RTECS : | RH0680000 for 106-32-1 |
| chemidplus : | 000106321 |
| EPA Substance Registry Services : | 106-32-1 |
| dtp/nci : | 8898 |
references :
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| | ethyl octanoate
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| fl. number : | 09.111 |
| jecfa number : | 33 |
| NIST Chemistry WebBook : | 1140535924 |
| pubchem : | 150893 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1986)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |