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| IUPAC name : | 2-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethyl acetate |
| InChI : | InChI=1/C13H20O2/c1-9(14)15-7-6-10-4-5-11-8-12(10)13(11,2)3/h4,11-12H,5-8H2,1-3H3 |
| InChIKey : | AWNOGHRWORTNEI-UHFFFAOYAZ |
| SMILES : | CC(=O)OCCC1=CCC2CC1C2(C)C |
| cas number : | 128-51-8 |
| (EINECS) number : | 204-891-9 |
| molar refractivity : | 59.62 ± 0.3 cm3 |
| parachor : | 493.2 ± 6.0 cm3 |
| index of refraction : | 1.482 ± 0.02 |
| surface tension : | 31.0 ± 3.0 dyne/cm |
| density : | 0.996 ± 0.06 g/cm3 |
| polarizability : | 23.63 ± 0.5 10-24cm3 |
| XlogP : | 3.60 |
| molecular weight : | 208.2967000 (IUPAC) |
| formula : | C13 H20 O2 |
| BioActivity Analysis : | 68124 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.39.9050 |
| fda reg : | unspecified |
Suppliers :
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| Berje : | Nopyl Acetate
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| Inoue : | NOPYL ACETATE
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| John D. Walsh : | Nopyl Acetate
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| Moellhausen : | nopyl acetate
98% min. nature identical kosher |
| Penta : | nopyl acetate
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| Takasago : | Nopyl Acetate
≥98% as Nopyl acetate Odor: Sweet, woody-fruity Used mainly in citrus, orange-flower, and fougeres. Widely used in household fragrances. |
| Ungerer : | Nopyl Acetate
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| Vigon : | Nopyl Acetate
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organoleptics :
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| odor type : | herbal |
| odor strength : | medium |
odor description: at 100.00 %. | herbal linalyl acetate woody pine lavender Luebke, William tgsc, (1989) |
| odor sample from : | Ungerer & Company, Inc. |
| substantivity : | 4 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97600 to 0.98400 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.121 to 8.188
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| specific gravity : | 0.97700 to 0.98500 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.139 to 8.206
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| refractive index : | 1.47000 to 1.47600 @ 20.00 °C.
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| boiling point : | 118.00 °C. @ 10.00 mm Hg
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| flash point : | 225.00 °F. TCC ( 107.22 °C. )
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| logP (o/w) : | 3.99 |
| 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) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : | |
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Oral-Rat 3000.00 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 943, 1974.
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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 : | fragrance agents |
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| recommendation for nopyl acetate fragrance usage levels up to : |
| | 25.0000 % in the fragrance concentrate.
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| recommendation for nopyl acetate flavor usage levels up to : |
| | not for flavor use.
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safety references :
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| msds : | msds |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 2-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethyl acetate |
| (EINECS) number : | 204-891-9 |
| chemidplus : | 000128518 |
| EPA Substance Registry Services : | 128-51-8 |
| dtp/nci : | 1286 |
references :
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| | 2-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethyl acetate |
| NIST Chemistry WebBook : | 405444251 |
| pubchem : | 679033 |
Cosmetics :
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| Cosmetic uses : |
masking agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| | C of A |