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| IUPAC name : | 3-methylbutyl (E)-2-methylbut-2-enoate |
| InChI : | InChI=1/C10H18O2/c1-5-9(4)10(11)12-7-6-8(2)3/h5,8H,6-7H2,1-4H3/b9-5+ |
| InChIKey : | ZARFDQHJMNVNLE-WEVVVXLNBC |
| SMILES : | C\C=C(/C)\C(=O)OCCC(C)C |
| cas number : | 41519-18-0 |
| (EINECS) number : | 255-423-5 |
| molar refractivity : | 50.01 ± 0.3 cm3 |
| parachor : | 435.5 ± 4.0 cm3 |
| index of refraction : | 1.437 ± 0.02 |
| surface tension : | 27.1 ± 3.0 dyne/cm |
| density : | 0.891 ± 0.06 g/cm3 |
| polarizability : | 19.82 ± 0.5 10-24cm3 |
| XlogP : | 3.10 |
| XlogP3-AA : | 3.00 |
| molecular weight : | 170.2487200 (IUPAC) |
| formula : | C10 H18 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2916.19 |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | isoamyl tiglate
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| Penta : | isoAMYL TIGLATE
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| Sigma-Aldrich-SAFC : | Isoamyl tiglate
≥97% Odor: fruity; wine-like |
organoleptics :
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| odor type : | herbal |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | fresh herbal wine fruity angelic acid |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89700 @ 25.00 °C.
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| refractive index : | 1.44100 @ 20.00 °C.
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| boiling point : | 204.00 to 205.00 °C. @ 760.00 mm Hg
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| flash point : | 176.00 °F. TCC ( 80.00 °C. )
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| logP (o/w) : | 3.81 |
safety :
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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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| recommendation for isoamyl tiglate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 3-methylbutyl (E)-2-methylbut-2-enoate
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| (EINECS) number : | 255-423-5 |
| chemidplus : | 041519180 |
| EPA Substance Registry Services : | 41519-18-0 |
references :
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| | 3-methylbutyl (E)-2-methylbut-2-enoate
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| NIST Chemistry WebBook : | 41519180 |
| pubchem : | 739994 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |