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| IUPAC name : | butyl dodecanoate |
| InChI : | InChI=1/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3 |
| InChIKey : | NDKYEUQMPZIGFN-UHFFFAOYAL |
| SMILES : | CCCCCCCCCCCC(=O)OCCCC |
| cas number : | 106-18-3 |
| (EINECS) number : | 203-370-3 |
| beilstein number : | 1776360 |
| fema number : | 2206 |
| coe number : | 376 |
| jecfa number : | 181 |
| fl. number : | 09.100 |
| molar refractivity : | 77.94 ± 0.3 cm3 |
| parachor : | 693.4 ± 4.0 cm3 |
| index of refraction : | 1.439 ± 0.02 |
| surface tension : | 30.0 ± 3.0 dyne/cm |
| density : | 0.865 ± 0.06 g/cm3 |
| polarizability : | 30.90 ± 0.5 10-24cm3 |
| XlogP : | 7.00 |
| XlogP3-AA : | 6.50 |
| molecular weight : | 256.4240800 (IUPAC) |
| formula : | C16 H32 O2 |
| BioActivity Analysis : | 70331 |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.90.0000 |
| fda reg : | 172.515 177.2600 |
Suppliers :
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| Cargill : | BUTYL LAURATE
natural, Kosher Odor: Wax, Oily |
| Inoue : | BUTYL LAURATE
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| Penta : | butyl laurate
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| Pfaltz & Bauer : | N-Butyl Laurate
98% |
| SAFC Global® : | Butyl laurate
≥99% |
| TCI AMERICA : | Butyl Laurate
>99.0%(GC) |
organoleptics :
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| odor type : | waxy |
| odor strength : | medium |
odor description: at 100.00 %. | waxy soapy fruity peanut |
odor description:
| Weak, waxy and soapy with a slightly fermented dairy nuance Mosciano, Gerard P&F 22, No. 4, 75, (1997) |
taste description: at 40.00 ppm. | Waxy and soapy with a creamy, dairy nuance Mosciano, Gerard P&F 22, No. 4, 75, (1997) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.84500 to 0.84700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.031 to 7.048
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| refractive index : | 1.43460 to 1.43710 @ 20.00 °C.
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| melting point : | -10.00 °C. @ 760.00 mm Hg
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| boiling point : | 180.00 °C. @ 18.00 mm Hg
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| boiling point : | 154.00 °C. @ 4.50 mm Hg
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| vapor pressure : | 0.00059 mm/Hg @ 25.00 °C. |
| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
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| logP (o/w) : | 6.51 |
safety :
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| Oral Toxicity(LD50) : | |
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Not determined
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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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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.00 (μg/capita/day) |
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| recommendation for butyl laurate fragrance usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for butyl laurate flavor usage levels up to : |
| | 40.0000 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 |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 1 |
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| | butyl dodecanoate |
| (EINECS) number : | 203-370-3 |
| chemidplus : | 000106183 |
| EPA Substance Registry Services : | 106-18-3 |
| dtp/nci : | 3920 |
references :
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| | butyl dodecanoate |
| fl. number : | 09.100 |
| jecfa number : | 181 |
| NIST Chemistry WebBook : | 1982552496 |
| pubchem : | 197239 |
| Flavornet : | 106-18-3 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |
| FDA Listing of Food Additive Status Part I (A through G | View |
| FDA Listing of Food Additive Status Part II (H through Z | View |