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| IUPAC name : | (5-methyl-2-propan-2-ylcyclohexyl) acetate |
| InChI : | InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3 |
| InChIKey : | XHXUANMFYXWVNG-UHFFFAOYAT |
| SMILES : | CC1CCC(C(C1)OC(=O)C)C(C)C |
| cas number : | 2623-23-6 |
| (EINECS) number : | 220-076-0 |
| beilstein number : | 2208505 |
| fema number : | 2668 |
| coe number : | 206 |
| molar refractivity : | 57.32 ± 0.4 cm3 |
| parachor : | 498.4 ± 6.0 cm3 |
| index of refraction : | 1.448 ± 0.03 |
| surface tension : | 29.4 ± 5.0 dyne/cm |
| density : | 0.92 ± 0.1 g/cm3 |
| polarizability : | 22.72 ± 0.5 10-24cm3 |
| XlogP : | 4.00 |
| molecular weight : | 198.3018800 (IUPAC) |
| formula : | C12 H22 O2 |
| NMR Predictor : | Predict |
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| IUPAC name : | [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate |
| InChI : | InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1 |
| InChIKey : | XHXUANMFYXWVNG-ADEWGFFLBI |
| cas number : | 2623-23-6 (RSR) |
| molar refractivity : | 57.32 ± 0.4 cm3 |
| parachor : | 498.4 ± 6.0 cm3 |
| index of refraction : | 1.448 ± 0.03 |
| surface tension : | 29.4 ± 5.0 dyne/cm |
| density : | 0.92 ± 0.1 g/cm3 |
| polarizability : | 22.72 ± 0.5 10-24cm3 |
| XlogP : | 4.00 |
| molecular weight : | 198.3018800 (IUPAC) |
| formula : | C12 H22 O2 |
| BioActivity Analysis : | 103726 |
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| export tariff code : | 2915.39.9050 |
| fda reg : | unspecified |
Suppliers :
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| Advanced Biotech : | menthyl acetate
97% min. natural Odor: Herbaceous, Mint |
| Apple : | l-Menthyl acetate
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| Berje : | laevo-Menthyl Acetate
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| Citrus and Allied Essences : | laevo-menthyl acetate
(natural) |
| Penta : | laevo-menthyl acetate
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| Sigma-Aldrich-SAFC : | L-Menthyl acetate
≥98%, natural, FCC Odor: berry; mango; melon; oily; orange; minty; herbaceous; fruity; raspberry; sweet; camphoraceous; woody |
| Symrise : | Menthyl acetate-l
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| Takasago : | l-Menthyl Acetate
≥98% as Menthyl acetate Odor: Mild and sweet, slightly fruity-herbaceous, minty |
| Vigon : | Menthyl Acetate Laevo
Odor: MILD, MINTY |
| Vigon : | Menthyl Acetate
Natural Odor: MILD, MINTY |
organoleptics :
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| odor type : | mentholic |
| odor strength : | medium |
odor description : at 100.00 %. | herbal mint rose |
| substantivity : | 4 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.92200 to 0.93100 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.672 to 7.747
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| refractive index : | 1.44800 to 1.45000 @ 20.00 °C.
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| boiling point : | 229.00 to 230.00 °C. @ 760.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| vapor pressure : | 0.05000 mm/Hg @ 20.00 °C. |
| flash point : | 171.00 °F. TCC ( 77.22 °C. )
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| logP (o/w) : | 4.10 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 37/38 - Irritating to respiratory system and skin. R 41 - Risk of serious damage to 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 37/39 - Wear suitable gloves and eye/face protection.
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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 FCTXAV 14,477,1976
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg FCTXAV 14,477,1976
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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 laevo-menthyl acetate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for laevo-menthyl acetate usage levels up to : |
| | 30.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | (5-methyl-2-propan-2-ylcyclohexyl) acetate
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| (EINECS) number : | 220-076-0 |
| RTECS : | AI5900000 for 2623-23-6 |
| chemidplus : | 016409453 |
| EPA Substance Registry Services : | 2623-23-6 |
| | [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate
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references :
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| | (5-methyl-2-propan-2-ylcyclohexyl) acetate
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| NIST Chemistry WebBook : | 2887317327 |
| pubchem : | 170402 |
| | [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate
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| pubchem : | 103726 |
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 |