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| IUPAC name : | benzyl dodecanoate |
| InChI : | InChI=1/C19H30O2/c1-2-3-4-5-6-7-8-9-13-16-19(20)21-17-18-14-11-10-12-15-18/h10-12,14-15H,2-9,13,16-17H2,1H3 |
| InChIKey : | QNRYOQRUGRVBRL-UHFFFAOYAN |
| SMILES : | CCCCCCCCCCCC(=O)OCC1=CC=CC=C1 |
| cas number : | 140-25-0 |
| (EINECS) number : | 205-405-8 |
| beilstein number : | 2280321 |
| fl. number : | 09.315 |
| molar refractivity : | 88.53 ± 0.3 cm3 |
| parachor : | 746.2 ± 4.0 cm3 |
| index of refraction : | 1.487 ± 0.02 |
| surface tension : | 34.7 ± 3.0 dyne/cm |
| density : | 0.945 ± 0.06 g/cm3 |
| polarizability : | 35.09 ± 0.5 10-24cm3 |
| XlogP : | 7.30 |
| XlogP3-AA : | 6.80 |
| molecular weight : | 290.4403000 (IUPAC) (PT) (112) |
| formula : | C19 H30 O2 |
| BioActivity Analysis : | 474546 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Fontarome : | BENZYL LAURATE
Odor: Very faint, fatty |
| Inoue : | BENZYL LAURATE
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| Nanjing : | BENZYL LAURATE
orders in chinese. |
| Penta : | benzyl laurate
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| TCI AMERICA : | Benzyl Laurate
>98.0%(GC) |
organoleptics :
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| odor type : | soapy |
| odor strength : | low |
odor description: at 100.00 %. | light fatty waxy soapy Luebke, William tgsc, (1988) |
| odor sample from : | Givaudan Corporation |
| substantivity : | 96 Hour(s) |
properties :
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| appearence : | pale yellow to yellow clear liquid |
| assay : | 95.00 to 100.00 %
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| water content : | <0.15% |
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.93700 to 0.94300 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.797 to 7.847
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| refractive index : | 1.47900 to 1.48500 @ 20.00 °C.
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| melting point : | 8.00 to 9.00 °C. @ 760.00 mm Hg
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| boiling point : | 369.00 to 370.00 °C. @ 760.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| saponification value : | 183.00 to 193.00
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| flash point : | > 200.00 °F. TCC ( > 93.33 °C. )
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| logP (o/w) : | 6.99 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
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 (Moreno, 1975m)
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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) : | 0.13 (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 benzyl laurate fragrance usage levels up to : |
| | 15.0000 % in the fragrance concentrate.
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| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 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 (EFSA, 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 |
| EPA Chem. Sub. Inventory : | Yes |
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| | benzyl dodecanoate |
| (EINECS) number : | 205-405-8 |
| RTECS : | JR3425000 for cas# 140-25-0 |
| chemidplus : | 000140250 |
| EPA Substance Registry Services : | 140-25-0 |
| dtp/nci : | 404342 |
references :
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| | benzyl dodecanoate |
| fl. number : | 09.315 |
| NIST Chemistry WebBook : | 140250 |
| pubchem : | 151943 |
Cosmetics :
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| Cosmetic uses : |
emollients
masking agents
perfuming agents
skin conditioning
solvents
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other :
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| CosIng : | cosmetic data |
| RIFM : | listed |
| FMA : | listed |