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| InChI : | InChI=1/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3 |
| InChIKey : | UMEJBWOWZDRULR-UHFFFAOYAK |
| SMILES : | CC1=CCC(CC1)C(C)C=O |
| cas number : | 29548-14-9 |
| (EINECS) number : | 249-688-6 |
| fema number : | 3178 |
| coe number : | 10347 |
| jecfa number : | 971 |
| fl. number : | 05.098 |
| molar refractivity : | 46.02 ± 0.3 cm3 |
| parachor : | 389.6 ± 6.0 cm3 |
| index of refraction : | 1.462 ± 0.02 |
| surface tension : | 29.5 ± 3.0 dyne/cm |
| density : | 0.910 ± 0.06 g/cm3 |
| polarizability : | 18.24 ± 0.5 10-24cm3 |
| XlogP : | 2.90 |
| molecular weight : | 152.2334400 |
| formula : | C10 H16 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | spicy |
| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description : at 0.10 % in dipropylene glycol. | spicy herbal |
properties :
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| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.90400 to 0.91600 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.531 to 7.631
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| refractive index : | 1.45800 to 1.46600 @ 20.00 °C.
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| boiling point : | 95.00 °C. @ 10.00 mm Hg
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| flash point : | 179.00 °F. TCC ( 81.67 °C. )
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| logP (o/w) : | 2.99 |
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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.12 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | ND (μg/capita/day) |
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| recommendation for para-menth-1-en-9-al usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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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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| (EINECS) number : | 249-688-6 |
| chemidplus : | 029548149 |
| EPA Substance Registry Services : | 29548-14-9 |
references :
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| fl. number : | 05.098 |
| jecfa number : | 971 |
| NIST Chemistry WebBook : | 727165779 |
| pubchem : | 10517472 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |