| 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 | |||||||||||||||||
|
| |||||||||||||||||
| export tariff code : | 2915.39.9050 | |||||||||||||||||
| fda reg : | unspecified | |||||||||||||||||
Suppliers : | ||||||||||||||||||
| IFF : | Vanoris
≥93% Odor: Soft, fruity, woody with a pleasing orris effect. | |||||||||||||||||
| Inoue : | SANTANATE | |||||||||||||||||
| John D. Walsh : | Vanoris | |||||||||||||||||
| Moellhausen : | isononyl acetate
98% min. artifical kosher Odor: woody, floral, with lavender connotations Flavor: woody, fruity-floral, with lavender connotations | |||||||||||||||||
| Penta : | nonisyl acetate | |||||||||||||||||
| Symrise : | Neononyl acetate
Odor: floral-sweet (violet, iris), fruity (somewhat like raspberry), slightly herbaceous | |||||||||||||||||
| Vigon : | Neononyl Acetate 3 5 5-Trimethyl Hexyl Acetate
Odor: FLORAL-SWEET (VIOLET, IRIS), FRUITY (SOMEWHAT LIKE RASPBERRY), SLIGHTLY HERBACEOUS | |||||||||||||||||
organoleptics : | ||||||||||||||||||
| odor type : | herbal | |||||||||||||||||
| odor strength : | medium | |||||||||||||||||
| odor description :¹ at 100.00 %. | sweet orris cumin woody fruity spicy | |||||||||||||||||
| odor sample from : | CA Aromatics Company Inc. | |||||||||||||||||
| 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. | |||||||||||||||||
| flash point : | 176.00 °F. TCC ( 80.00 °C. ) | |||||||||||||||||
| logP (o/w) : | 3.88 | |||||||||||||||||
safety : | ||||||||||||||||||
| most important hazard(s) : | None - None found. | |||||||||||||||||
|
S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | ||||||||||||||||||
| Human experience : | 4 % solution: no irritation or sensitization. | |||||||||||||||||
| Oral Toxicity(LD50) : | ||||||||||||||||||
|
Oral-Rat >4250.00 mg/kg (Moreno, 1973af) | ||||||||||||||||||
| Dermal Toxicity(LD50) : | ||||||||||||||||||
|
Skin-Rabbit >5000.00 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 1009, 1974. | ||||||||||||||||||
| Inhalation Toxicity(LC50) : | ||||||||||||||||||
| Not determined | ||||||||||||||||||
safety in use : | ||||||||||||||||||
| 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) | |||||||||||||||||
| 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 references : | ||||||||||||||||||
| 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 | |||||||||||||||||
| WGK Germany : | 2 | |||||||||||||||||
| 3,5,5-trimethylhexyl acetate | ||||||||||||||||||
| (EINECS) number : | 261-245-9 | |||||||||||||||||
| chemidplus : | 058430947 | |||||||||||||||||
| EPA Substance Registry Services : | 58430-94-7 | |||||||||||||||||
references : | ||||||||||||||||||
| 3,5,5-trimethylhexyl acetate | ||||||||||||||||||
| fl. number : | 09.819 | |||||||||||||||||
| NIST Chemistry WebBook : | 58430947 | |||||||||||||||||
| pubchem : | 183240 | |||||||||||||||||
Cosmetics : | ||||||||||||||||||
| Cosmetic uses : |
perfuming agents | |||||||||||||||||
other : | ||||||||||||||||||
| reference : | Luebke, William tgsc, (1992)¹ | |||||||||||||||||
| CosIng : | cosmetic data | |||||||||||||||||