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| IUPAC name : | hexadecyl acetate |
| InChI : | InChI=1/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3 |
| InChIKey : | LSTDYDRCKUBPDI-UHFFFAOYAB |
| SMILES : | CCCCCCCCCCCCCCCCOC(=O)C |
| cas number : | 629-70-9 |
| (EINECS) number : | 211-103-7 |
| beilstein number : | 1782695 |
| fl. number : | 09.574 |
| molar refractivity : | 87.21 ± 0.3 cm3 |
| parachor : | 773.0 ± 4.0 cm3 |
| index of refraction : | 1.442 ± 0.02 |
| surface tension : | 30.4 ± 3.0 dyne/cm |
| density : | 0.864 ± 0.06 g/cm3 |
| polarizability : | 34.57 ± 0.5 10-24cm3 |
| XlogP : | 6.90 |
| XlogP3 : | 7.70 |
| molecular weight : | 284.4772400 (IUPAC) |
| formula : | C18 H36 O2 |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.39.9050 |
| fda reg : | unspecified |
Suppliers :
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| Inoue : | HEXADECYL ACETATE
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| Nanjing : | cetyl acetate
orders in chinese only. |
| Penta : | cetyl acetate
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| Vigon : | Cetyl Acetate
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organoleptics :
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properties :
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| appearence : | colorless solid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85600 to 0.86200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.123 to 7.173
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| refractive index : | 1.43900 to 1.44500 @ 20.00 °C.
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| boiling point : | 322.00 to 323.00 °C. @ 760.00 mm Hg
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| flash point : | 295.00 °F. TCC ( 146.11 °C. )
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| logP (o/w) : | 7.74 |
| shelf life : | 12.00 month(s) or longer if stored properly. |
| storage : | refrigerate in tightly sealed containers. store under nitrogen. |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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| Oral Toxicity(LD50) : | |
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Oral-Rat >5000.00 mg/kg Food and Chemical Toxicology. Vol. 21, Pg. 663, 1983.
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit >5000.00 mg/kg Food and Chemical Toxicology. Vol. 21, Pg. 663, 1983.
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| 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) |
| Category : | cosmetic agents |
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| recommendation for cetyl acetate fragrance usage levels up to : |
| | not for fragrance use.
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| recommendation for cetyl acetate flavor usage levels up to : |
| | not for flavor use.
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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 : | 2 |
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| | hexadecyl acetate |
| (EINECS) number : | 211-103-7 |
| RTECS : | MM0225200 for cas# 629-70-9 |
| chemidplus : | 000629709 |
| EPA Substance Registry Services : | 629-70-9 |
| dtp/nci : | 8492 |
references :
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| | hexadecyl acetate |
| fl. number : | 09.574 |
| NIST Chemistry WebBook : | 2106401374 |
| pubchem : | 155714 |
Cosmetics :
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| Cosmetic uses : |
emollients
masking agents
skin conditioning
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| RIFM : | listed |
| Household Products : | Search |