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| IUPAC name : | 3,7-dimethylocta-1,6-dien-3-yl propanoate |
| InChI : | InChI=1/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3 |
| InChIKey : | WAQIIHCCEMGYKP-UHFFFAOYAZ |
| SMILES : | CCC(=O)OC(C)(CCC=C(C)C)C=C |
| cas number : | 144-39-8 |
| (EINECS) number : | 205-627-5 |
| fema number : | 2645 |
| coe number : | 411 |
| jecfa number : | 360 |
| fl. number : | 09.130 |
| molar refractivity : | 63.64 ± 0.3 cm3 |
| parachor : | 541.5 ± 4.0 cm3 |
| index of refraction : | 1.453 ± 0.02 |
| surface tension : | 28.1 ± 3.0 dyne/cm |
| density : | 0.894 ± 0.06 g/cm3 |
| polarizability : | 25.22 ± 0.5 10-24cm3 |
| XlogP : | 3.50 |
| molecular weight : | 210.3125800 (IUPAC) |
| formula : | C13 H22 O2 |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.50.3000 |
| fda reg : | 172.515 |
Suppliers :
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| Apple : | Linalyl propionate
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| Fleurchem : | linalyl propionate (ex BDR)
natural |
| Fleurchem : | linalyl propionate
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| Inoue : | LINALYL PROPIONATE
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| Penta : | linalyl propionate
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| SAFC Global® : | Linalyl propionate
≥92%, Kosher, FCC, FG Odor: herbaceous; pear; sweet |
| Vigon : | Linalyl Propionate
FCC Odor: LAVENDER, CITRUS-BERGAMOT, FRUITY |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description: at 100.00 %. | fresh bergamot lily woody rose rum Luebke, William tgsc, (1996) |
| odor sample from : | Elan Chemical, Inc. |
| substantivity : | 12 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.89600 to 0.90400 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.456 to 7.522
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| refractive index : | 1.45200 to 1.45500 @ 20.00 °C.
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| boiling point : | 115.00 °C. @ 10.00 mm Hg
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| boiling point : | 226.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 0.02670 mm/Hg @ 20.00 °C. |
| flash point : | 207.00 °F. TCC ( 97.22 °C. )
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| logP (o/w) : | 4.37 |
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 : | 8 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
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Oral-Rat >5000.00 mg/kg (Moreno, 1973p)
Oral-Mouse [sex: M] 13874.00 mg/kg (Hoffman-LaRoche, Inc., 1967b)
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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) : | 13.00 (μg/capita/day) |
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| recommendation for linalyl propionate fragrance usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for linalyl propionate flavor usage levels up to : |
| | 15.0000 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 |
| Toxicology Citations : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 3,7-dimethylocta-1,6-dien-3-yl propanoate |
| (EINECS) number : | 205-627-5 |
| RTECS : | RG5927903 for cas# 144-39-8 |
| chemidplus : | 000144398 |
| EPA Substance Registry Services : | 144-39-8 |
| dtp/nci : | 46139 |
references :
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| | 3,7-dimethylocta-1,6-dien-3-yl propanoate |
| fl. number : | 09.130 |
| jecfa number : | 360 |
| NIST Chemistry WebBook : | 2123001199 |
| pubchem : | 197338 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |