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| IUPAC name : | 2-(4-methylcyclohexyl)propan-2-yl acetate |
| InChI : | InChI=1/C12H22O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h9,11H,5-8H2,1-4H3 |
| InChIKey : | HBNHCGDYYBMKJN-UHFFFAOYAL |
| SMILES : | CC1CCC(CC1)C(C)(C)OC(=O)C |
| cas number : | 58985-18-5 |
| (EINECS) number : | 261-543-9 |
| fl. number : | 09.617 |
| molar refractivity : | 56.98 ± 0.3 cm3 |
| parachor : | 498.8 ± 6.0 cm3 |
| index of refraction : | 1.448 ± 0.02 |
| surface tension : | 30.2 ± 3.0 dyne/cm |
| density : | 0.932 ± 0.06 g/cm3 |
| polarizability : | 22.58 ± 0.5 10-24cm3 |
| XlogP : | 4.10 |
| molecular weight : | 198.3018800 (IUPAC) |
| formula : | C12 H22 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.39.9050 |
| fda reg : | unspecified |
Suppliers :
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| Berje : | Dihydro Terpinyl Acetate
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| IFF : | Dihydro Terpinyl Acetate DSA
≥95% (sum of isomers) Odor: Woody Fresh, woody and cologne-like. |
| Inoue : | MENTHANYL ACETATE
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| Penta : | dihydro terpinyl acetate
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| Vigon : | Dihydro Terpinyl Acetate Menthanyl Acetate
Odor: FRESH, BERGAMOT-LAVENDAR |
organoleptics :
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| odor type : | herbal |
| odor strength : | medium |
odor description: at 100.00 %. | pine citrus woody lime cologne |
| substantivity : | 4 Hour(s) |
properties :
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| appearence : | pale yellow clear liquid |
| assay : | 95.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.93000 to 0.94000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.739 to 7.822
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| specific gravity : | 0.93100 to 0.93900 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.756 to 7.823
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| refractive index : | 1.44900 to 1.45500 @ 20.00 °C.
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 2.00000 mm/Hg @ 20.00 °C. |
| vapor density : | 6.8 ( Air = 1 ) |
| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 3.96 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and 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 36 - Wear suitable protective clothing.
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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) : | 0.012 (μg/capita/day) |
| modified Theoretical Added Maximum Daily Intake (mTAMDI) : | 3900 (μg/person/day) |
| Threshold of concern : | 1800 (μg/person/day) |
| Structure Class : | I |
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| recommendation for dihydroterpinyl acetate fragrance usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i). |
| Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. |
| | average usage mg/kg | maximum usage mg/kg |
| Dairy products, excluding products of category 02.0 (01.0) : | 7.00000 | 35.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) : | 5.00000 | 25.00000 |
| Edible ices, including sherbet and sorbet (03.0) : | 10.00000 | 50.00000 |
| Processed fruit (04.1) : | 7.00000 | 35.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : | - | - |
| Confectionery (05.0) : | 10.00000 | 50.00000 |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : | 5.00000 | 25.00000 |
| Bakery wares (07.0) : | 10.00000 | 50.00000 |
| Meat and meat products, including poultry and game (08.0) : | 2.00000 | 10.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : | 2.00000 | 10.00000 |
| Eggs and egg products (10.0) : | - | - |
| Sweeteners, including honey (11.0) : | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : | 5.00000 | 25.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) : | 10.00000 | 50.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : | 5.00000 | 25.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : | 10.00000 | 50.00000 |
| Ready-to-eat savouries (15.0) : | 20.00000 | 100.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : | 5.00000 | 25.00000 |
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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| | 2-(4-methylcyclohexyl)propan-2-yl acetate |
| (EINECS) number : | 261-543-9 |
| chemidplus : | 000080251 |
| EPA Substance Registry Services : | 58985-18-5 |
references :
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| | 2-(4-methylcyclohexyl)propan-2-yl acetate |
| fl. number : | 09.617 |
| NIST Chemistry WebBook : | 775273783 |
| pubchem : | 149607 |
| Flavornet : | 58985-18-5 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |