| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). | ||||||||||||||||
| IUPAC name : | 3,5,5-trimethylhexyl acetate | |||||||||||||||
| InChI : | InChI=1/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3 | |||||||||||||||
| InChIKey : | DGKXDLCVQSQVBC-UHFFFAOYAY | |||||||||||||||
| SMILES : | CC(CCOC(=O)C)CC(C)(C)C | |||||||||||||||
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| export tariff code : | 2915.39.9050 | |||||||||||||||
| fda reg : | unspecified | |||||||||||||||
Suppliers : | ||||||||||||||||
| International Flavors & Fragrances : | Vanoris
≥93% | |||||||||||||||
| Symrise : | Neononyl acetate | |||||||||||||||
organoleptics : | ||||||||||||||||
| odor type : | herbal | |||||||||||||||
| odor strength : | medium | |||||||||||||||
| odor description : at 100.00 %. | sweet orris cumin woody fruity spicy | |||||||||||||||
| substantivity : | 4 Hour(s) | |||||||||||||||
properties : | ||||||||||||||||
| appearence : | colorless clear liquid | |||||||||||||||
| assay : | 93.00 to 100.00 % | |||||||||||||||
| Food Chemicals Codex Listed : | No | |||||||||||||||
| specific gravity : | 0.86000 to 0.87000 @ 25.00 °C. | |||||||||||||||
| pounds per gallon - calc. : | 7.156 to 7.239 | |||||||||||||||
| specific gravity : | 0.86100 to 0.87100 @ 20.00 °C. | |||||||||||||||
| pounds per gallon - calc. : | 7.173 to 7.256 | |||||||||||||||
| refractive index : | 1.41900 to 1.42400 @ 20.00 °C. | |||||||||||||||
| logp : | 3.88 | |||||||||||||||
safety : | ||||||||||||||||
| Oral Toxicity(LD50) : |
Oral-Rat >4250.00 mg/kg (Moreno, 1973af) | |||||||||||||||
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg | |||||||||||||||
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.011 (μg/capita/day) | |||||||||||||||
| modified Theoretical Added Maximum Daily Intake (mTAMDI) : | 2300 (μg/person/day) | |||||||||||||||
| Threshold of concern : | 1800 (μg/person/day) | |||||||||||||||
| flash point ( Deg. F. ) : | 176.00 °F. TCC ( 80.00 °C. ) | |||||||||||||||
| recommendation for nonisyl acetate usage levels up to : | ||||||||||||||||
| 10.0000 % in the fragrance concentrate. | ||||||||||||||||
| recommendation for nonisyl acetate usage levels up to : | ||||||||||||||||
| not for flavor use. | ||||||||||||||||
| 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) : | - | - | ||||||||||||||
| 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 links : | ||||||||||||||||
| (EINECS) number : | 261-245-9 | |||||||||||||||
| chemidplus : | 058430947 | |||||||||||||||
| EPA Substance Registry Services : | 58430-94-7 | |||||||||||||||
| NLM Chemical Carcinogenesis Research Information System : | 58430-94-7 | |||||||||||||||
| NLM Developmental and Reproductive Toxicity : | 58430-94-7 | |||||||||||||||
| NLM Env. Mutagen Info. Center : | 58430-94-7 | |||||||||||||||
| NLM GENetic TOXicology : | 58430-94-7 | |||||||||||||||
| EPI System : | view | |||||||||||||||
other : | ||||||||||||||||
references : | ||||||||||||||||
| fl. number : | 09.819 | |||||||||||||||
| pubchem : | 183240 | |||||||||||||||