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| IUPAC name : | methyl 1-methylcyclohex-3-ene-1-carboxylate |
| InChI : | InChI=1/C9H14O2/c1-9(8(10)11-2)6-4-3-5-7-9/h3-4H,5-7H2,1-2H3 |
| InChIKey : | GLCJULYDLTXOEN-UHFFFAOYAD |
| SMILES : | CC1(CCC=CC1)C(=O)OC |
| cas number : | 6493-80-7 |
| (EINECS) number : | 229-377-1 |
| molar refractivity : | 42.83 ± 0.3 cm3 |
| parachor : | 370.2 ± 6.0 cm3 |
| index of refraction : | 1.462 ± 0.02 |
| surface tension : | 31.9 ± 3.0 dyne/cm |
| density : | 0.989 ± 0.06 g/cm3 |
| polarizability : | 16.98 ± 0.5 10-24cm3 |
| XlogP : | 1.80 |
| molecular weight : | 154.2062600 |
| formula : | C9 H14 O2 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | herbal |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | tagette chrysanthemum thujone natural sweet herbal |
| odor sample from : | Naarden International |
| substantivity : | 4 Hour(s) |
properties :
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| appearence : | yellow clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99700 @ 20.00 °C.
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| boiling point : | 50.00 °C. @ 5.00 mm Hg
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| flash point : | 145.00 °F. TCC ( 62.78 °C. )
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| logP (o/w) : | 2.42 |
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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| recommendation for tagette carboxylate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for tagette carboxylate usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | methyl 1-methylcyclohex-3-ene-1-carboxylate
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| (EINECS) number : | 229-377-1 |
| chemidplus : | 006493807 |
| EPA Substance Registry Services : | 6493-80-7 |
references :
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| | methyl 1-methylcyclohex-3-ene-1-carboxylate
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| pubchem : | 688127 |
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 |