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| IUPAC name : | tridecan-2-one |
| InChI : | InChI=1/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3 |
| InChIKey : | CYIFVRUOHKNECG-UHFFFAOYAU |
| SMILES : | CCCCCCCCCCCC(=O)C |
| cas number : | 593-08-8 |
| (EINECS) number : | 209-784-0 |
| beilstein number : | 1757402 |
| fema number : | 3388 |
| coe number : | 11194 |
| jecfa number : | 298 |
| fl. number : | 07.103 |
| molar refractivity : | 62.30 ± 0.3 cm3 |
| parachor : | 554.4 ± 4.0 cm3 |
| index of refraction : | 1.431 ± 0.02 |
| surface tension : | 28.3 ± 3.0 dyne/cm |
| density : | 0.825 ± 0.06 g/cm3 |
| polarizability : | 24.69 ± 0.5 10-24cm3 |
| XlogP : | 5.60 |
| molecular weight : | 198.3449400 (IUPAC) |
| formula : | C13 H26 O |
| BioActivity Analysis : | 78849 |
| NMR Predictor : | Predict |
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| export tariff code : | 2914.19.0000 |
| fda reg : | unspecified |
Suppliers :
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| Advanced Biotech : | 2-tridecanone
98% min. natural Odor: Waxy |
| Apple : | 2-Tridecanone
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| Bedoukian Research : | METHYL UNDECYL KETONE
≥99.0%, Kosher Odor: A fatty, herbaceous, earthy aroma |
| Cargill - Alfrebro : | METHYL UNDECYL KETONE
natural, Kosher |
| Gainworld : | 2-tridecanone
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| Inoue : | METHYL UNDECYL KETONE
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| Penta : | 2-tridecanone
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| Sigma-Aldrich-SAFC : | 2-Tridecanone
≥96%, Kosher Odor: spicy; herbaceous |
| Vigon : | Methyl Undecyl Ketone 2-Tridecanone
Odor: WARM-OILY, WAXY |
organoleptics :
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| odor type : | waxy |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | fatty waxy dairy milky coconut nutty herbal earthy |
properties :
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| appearence : | white crystalline solid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 29.00 to 31.00 °C. @ 760.00 mm Hg
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| boiling point : | 134.00 °C. @ 10.00 mm Hg
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| boiling point : | 195.00 °C. @ 110.00 mm Hg
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| vapor pressure : | 0.00300 mm/Hg @ 20.00 °C. |
| flash point : | 225.00 °F. TCC ( 107.22 °C. )
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| logP (o/w) : | 4.68 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 62.00 (μg/capita/day) |
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| recommendation for 2-tridecanone usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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| recommendation for 2-tridecanone usage levels up to : |
| | 10.0000 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 |
| Env. Mutagen Info. Center : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | tridecan-2-one
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| (EINECS) number : | 209-784-0 |
| chemidplus : | 000593088 |
| EPA Substance Registry Services : | 593-08-8 |
| dtp/nci : | 14763 |
references :
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| | tridecan-2-one
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| fl. number : | 07.103 |
| jecfa number : | 298 |
| NIST Chemistry WebBook : | 3255982289 |
| pubchem : | 154927 |
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 |