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| IUPAC name : | 1-naphthalen-1-ylethanone |
| InChI : | InChI=1/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3 |
| InChIKey : | QQLIGMASAVJVON-UHFFFAOYAK |
| SMILES : | CC(=O)C1=CC=CC2=CC=CC=C21 |
| cas number : | 941-98-0 |
| (EINECS) number : | 213-384-1 |
| beilstein number : | 1100618 |
| fl. number : | 07.214 |
| molar refractivity : | 54.12 ± 0.3 cm3 |
| parachor : | 396.2 ± 4.0 cm3 |
| index of refraction : | 1.615 ± 0.02 |
| surface tension : | 42.6 ± 3.0 dyne/cm |
| density : | 1.097 ± 0.06 g/cm3 |
| polarizability : | 21.45 ± 0.5 10-24cm3 |
| XlogP : | 3.10 |
| XlogP3-AA : | 2.90 |
| molecular weight : | 170.2072000 (IUPAC) |
| formula : | C12 H10 O |
| BioActivity Analysis : | 73491 |
| NMR Predictor : | Predict |
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| export tariff code : | 2914.30.0000 |
| fda reg : | unspecified |
Suppliers :
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| Penta : | 1-acetonaphthone
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| Penta : | 2-acetonaphthone
liquid |
organoleptics :
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| odor type : | floral |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | sweet neroli orange blossom powdery |
| odor sample from : | Harrmann & Reimer Corporation |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | yellow brown clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.11000 to 1.11600 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.236 to 9.286
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| refractive index : | 1.62000 to 1.63000 @ 20.00 °C.
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| melting point : | 33.00 to 34.00 °C. @ 760.00 mm Hg
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| boiling point : | 297.00 to 299.00 °C. @ 760.00 mm Hg
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| flash point : | 265.00 °F. TCC ( 129.44 °C. )
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| logP (o/w) : | 2.85 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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 37/39 - Wear suitable gloves and eye/face protection. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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| Oral Toxicity(LD50) : |
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Oral-Rat [sex: M,F] 1560.00 mg/kg (Moreno, 1977x)
Oral-Rat [sex: M] 800.00 mg/kg (Eastman Kodak Co., 1992b)
Oral-Mouse [sex: M] 800.00 mg/kg (Eastman Kodak Co., 1992b)
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 755, 1982.
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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) : | 0.0012 (μg/capita/day) |
| modified Theoretical Added Maximum Daily Intake (mTAMDI) : | 1600 (μg/person/day) |
| Threshold of concern : | 90 (μg/person/day) |
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| recommendation for alpha-naphthyl methyl ketone usage levels up to : |
| | 3.0000 % 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) : | 3.00000 | 15.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) : | 2.00000 | 10.00000 |
| Edible ices, including sherbet and sorbet (03.0) : | 3.00000 | 15.00000 |
| Processed fruit (04.1) : | 2.00000 | 10.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : | - | - |
| Confectionery (05.0) : | 4.00000 | 20.00000 |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : | 2.00000 | 10.00000 |
| Bakery wares (07.0) : | 5.00000 | 25.00000 |
| Meat and meat products, including poultry and game (08.0) : | 1.00000 | 5.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : | 1.00000 | 5.00000 |
| Eggs and egg products (10.0) : | - | - |
| Sweeteners, including honey (11.0) : | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : | 2.00000 | 10.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) : | 3.00000 | 15.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : | 2.00000 | 10.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : | 4.00000 | 20.00000 |
| Ready-to-eat savouries (15.0) : | 5.00000 | 25.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : | 2.00000 | 10.00000 |
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 |
| NLM Developmental and Reproductive Toxicity : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 1-naphthalen-1-ylethanone
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| (EINECS) number : | 213-384-1 |
| RTECS : | AL2982800 for 941-98-0 |
| chemidplus : | 000941980 |
| EPA Substance Registry Services : | 941-98-0 |
| dtp/nci : | 7659 |
references :
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| | 1-naphthalen-1-ylethanone
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| fl. number : | 07.214 |
| NIST Chemistry WebBook : | 1821079740 |
| pubchem : | 157003 |
Cosmetics :
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| Cosmetic uses : |
masking agents
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1989)¹ |
| CosIng : | cosmetic data |