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| IUPAC name : | 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one |
| InChI : | InChI=1/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3 |
| InChIKey : | DSSYKIVIOFKYAU-UHFFFAOYAK |
| SMILES : | CC1(C2CCC1(C(=O)C2)C)C |
| cas number : | 76-22-2 |
| (EINECS) number : | 200-945-0 |
| beilstein number : | 1907611 |
| fema number : | 4513 |
| coe number : | 140 |
| fl. number : | 07.006 |
| molar refractivity : | 44.39 ± 0.3 cm3 |
| parachor : | 367.1 ± 6.0 cm3 |
| index of refraction : | 1.485 ± 0.02 |
| surface tension : | 31.5 ± 3.0 dyne/cm |
| density : | 0.982 ± 0.06 g/cm3 |
| polarizability : | 17.59 ± 0.5 10-24cm3 |
| XlogP : | 2.10 |
| XlogP3-AA : | 2.20 |
| molecular weight : | 152.2334400 (IUPAC) |
| formula : | C10 H16 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2914.21.0000 |
| fda reg : | unspecified |
Suppliers :
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| Moellhausen : | camphor
96% min. nature identical kosher Odor: strong, stinging, balsamic. Flavor: camphoraceous, pine. |
| Nanjing : | Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-
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| Penta : | camphor flakes
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| Penta : | camphor
synthetic powder |
| Penta : | dl-camphor
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| Pfaltz & Bauer : | DL-Camphor
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| Sigma-Aldrich-SAFC : | (±)-Camphor
Kosher |
| TCI AMERICA : | (±)-Camphor
>95.0%(GC) |
| Tokyo Chemical Industry : | (±)-Camphor
C0011.html |
organoleptics :
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| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 100.00 %. | camphoreous |
properties :
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| appearence : | white to pale yellow crystalline solid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 176.00 to 177.00 °C. @ 760.00 mm Hg
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| boiling point : | 204.00 to 205.00 °C. @ 760.00 mm Hg
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| boiling point : | 120.00 to 121.00 °C. @ 50.00 mm Hg
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| vapor pressure : | 0.65000 mm/Hg @ 25.00 °C. |
| vapor density : | 5.2 ( Air = 1 ) |
| flash point : | 148.00 °F. TCC ( 64.44 °C. )
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| logP (o/w) : | 2.38 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 40 - Limited evidence of a carcinogenic effect. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : |
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Oral-Mouse 1310.00 mg/kg Shika Gakuho. Journal of Dentistry. Vol. 75, Pg. 934, 1975.
Intraperitoneal-Mouse 3000.00 mg/kg American Journal of Pathology. Vol. 30, Pg. 857, 1954.
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| Dermal Toxicity(LD50) : |
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Subcutaneous-Rat 70.00 mg/kg "Ueber die Pharmakologische Wirkung eines dem Pentamethylentetrazol Vol. -, Pg. -, 1934.
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for (±)-camphor usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link. |
| publication number : 24 |
| | average usual ppm | average maximum ppm |
| baked goods : | 1.00000 | 10.00000 |
| beverages(nonalcoholic) : | 0.01000 | 0.20000 |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | 20.00000 | 100.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | 1.00000 | 10.00000 |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | 0.02000 | 2.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 5.00000 | 50.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | - | - |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
| ClinicalTrials.gov : | search |
| Daily Med : | search |
| NIOSH International Chemical Safety Cards : | search |
| NIOSH Pocket Guide : | search |
| NLM Hazardous Substances Data Bank : | search |
| AIDS Citations : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 2717 |
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| WGK Germany : | 1 |
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| | 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
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| (EINECS) number : | 200-945-0 |
| RTECS : | 76-22-2 |
| chemidplus : | 000076222 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 76-22-2 |
references :
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| | 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
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| fl. number : | 07.006 |
| NIST Chemistry WebBook : | 76222 |
| pubchem : | 153284 |
Cosmetics :
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| Cosmetic uses : |
denaturants
masking agents
plasticisers
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| Household Products : | Search |