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| IUPAC name : | 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta(g)-2-benzopyran |
| InChI : | InChI=1/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3 |
| InChIKey : | ONKNPOPIGWHAQC-UHFFFAOYAG |
| SMILES : | CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C |
| cas number : | 1222-05-5 |
| % from : | 48.00% to 52.00% |
| (EINECS) number : | 214-946-9 |
| molar refractivity : | 80.26 ± 0.3 cm3 |
| parachor : | 649.0 ± 4.0 cm3 |
| index of refraction : | 1.499 ± 0.02 |
| surface tension : | 31.8 ± 3.0 dyne/cm |
| density : | 0.945 ± 0.06 g/cm3 |
| polarizability : | 31.81 ± 0.5 10-24cm3 |
| XlogP : | 5.10 |
| molecular weight : | 258.3984400 (IUPAC) |
| formula : | C18 H26 O |
| NMR Predictor : | Predict |
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| IUPAC name : | diethyl benzene-1,2-dicarboxylate |
| InChI : | InChI=1/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey : | FLKPEMZONWLCSK-UHFFFAOYAV |
| SMILES : | CCOC(=O)C1=CC=CC=C1C(=O)OCC |
| cas number : | 84-66-2 |
| % from : | 52.00% to 48.00% |
| (EINECS) number : | 201-550-6 |
| molar refractivity : | 59.06 ± 0.3 cm3 |
| parachor : | 496.5 ± 4.0 cm3 |
| index of refraction : | 1.507 ± 0.02 |
| surface tension : | 39.3 ± 3.0 dyne/cm |
| density : | 1.121 ± 0.06 g/cm3 |
| polarizability : | 23.41 ± 0.5 10-24cm3 |
| XlogP : | 2.70 |
| molecular weight : | 222.2371600 (IUPAC) |
| formula : | C12 H14 O4 |
| BioActivity Analysis : | 74519 |
| NMR Predictor : | Predict |
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| export tariff code : | 3302.90.9090 |
| fda reg : | unspecified |
Suppliers :
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| IFF : | Galaxolide®
50% in DEP Odor: Musk, Floral, Woody A clean, powerful and versatile iso-chroman musk having exceptional persistence and a superb fragrance quality approaching the tone of the macrocyclic musks. |
| John D. Walsh : | Galaxolide 50 DEP
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| Moellhausen : | musk S
50% DEP min. artifical kosher Odor: powder, musk Flavor: musky |
| Penta : | galaxolide
50% in d.e.p. |
| Polarome : | POLARLIDE 50 DPG
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| SAFC Global® : | 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyran solution
50% in diethyl phthalate |
organoleptics :
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| odor type : | musk |
| odor strength : | medium |
odor description: at 100.00 %. | strong diffusive sweet floral musk Luebke, William tgsc, (1987) |
| odor sample from : | International Flavors & Fragrances Inc. |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | colorless clear oily liquid |
| assay : | 48.00 to 52.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.03700 to 1.04700 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.629 to 8.712
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| refractive index : | 1.51600 to 1.52600 @ 20.00 °C.
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| boiling point : | 127.00 to 136.00 °C. @ 2.00 mm Hg
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| flash point : | 201.00 °F. TCC ( 93.89 °C. )
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| logP (o/w) : | 5.92 |
| shelf life : | 36.00 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 N - Irritant, Dangerous for the environment. |
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R 38 - Irritating to skin. R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 24 - Avoid contact with skin. S 36 - Wear suitable protective clothing. 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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Not determined
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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 musk gx 50% in dep fragrance usage levels up to : |
| | 50.0000 % in the fragrance concentrate.
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| recommendation for musk gx 50% in dep flavor usage levels up to : |
| | not for flavor use.
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safety references :
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| msds : | msds |
| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
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| WGK Germany : | 3 |
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| | 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta(g)-2-benzopyran |
| (EINECS) number : | 214-946-9 |
| chemidplus : | 001222055 |
| EPA Substance Registry Services : | 1222-05-5 |
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| | diethyl benzene-1,2-dicarboxylate |
| (EINECS) number : | 201-550-6 |
| RTECS : | TI1050000 for cas# 84-66-2 |
| chemidplus : | 000084662 |
| EPA Substance Registry Services : | 84-66-2 |
| dtp/nci : | 8905 |
references :
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| Leffingwell : | chirality |
| | 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta(g)-2-benzopyran |
| NIST Chemistry WebBook : | 1901910895 |
| pubchem : | 668252 |
| | diethyl benzene-1,2-dicarboxylate |
| NIST Chemistry WebBook : | 212480977 |
| pubchem : | 149772 |
Cosmetics :
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| Cosmetic uses : |
masking agents
perfuming agents
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other :
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| CosIng : | cosmetic data |
| | C of A |