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| IUPAC name : | butyl (E)-2-methylbut-2-enoate |
| InChI : | InChI=1/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5+ |
| InChIKey : | RBGFLIOXJWFKKX-VMPITWQZBM |
| SMILES : | CCCCOC(=O)/C(=C/C)/C |
| cas number : | 7785-66-2 |
| molar refractivity : | 45.42 ± 0.3 cm3 |
| parachor : | 398.3 ± 4.0 cm3 |
| index of refraction : | 1.435 ± 0.02 |
| surface tension : | 27.4 ± 3.0 dyne/cm |
| density : | 0.897 ± 0.06 g/cm3 |
| polarizability : | 18.00 ± 0.5 10-24cm3 |
| XlogP : | 2.60 |
| XlogP3 : | 3.10 |
| molecular weight : | 156.2221400 (IUPAC) |
| formula : | C9 H16 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2916.19.6000 |
| fda reg : | unspecified |
Suppliers :
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| Bedoukian Research : | n-BUTYL TIGLATE
≥98.0%, Kosher Odor: A floral, herbaceous odor with a slightly fruity note. |
| Penta : | butyl tiglate
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organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | floral herbal warm fruity |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.90000 to 0.91100 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.489 to 7.580
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| refractive index : | 1.43500 to 1.44500 @ 20.00 °C.
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| boiling point : | 196.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.00155 mm/Hg @ 25.00 °C. |
| flash point : | 161.00 °F. TCC ( 71.67 °C. )
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| logP (o/w) : | 3.46 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 37 - Wear suitable gloves.
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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 butyl tiglate usage levels up to : |
| | 1.0000 % 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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| | butyl (E)-2-methylbut-2-enoate
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| chemidplus : | 007785662 |
| EPA Substance Registry Services : | 7785-66-2 |
references :
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| | butyl (E)-2-methylbut-2-enoate
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| NIST Chemistry WebBook : | 3282061665 |
| pubchem : | 659156 |
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 |