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| IUPAC name : | butyl 2-methylpentanoate |
| InChI : | InChI=1/C10H20O2/c1-4-6-8-12-10(11)9(3)7-5-2/h9H,4-8H2,1-3H3 |
| InChIKey : | FMVUGLMJUHFPSJ-UHFFFAOYAZ |
| SMILES : | CCCCOC(=O)C(C)CCC |
| cas number : | 6297-41-2 |
| (EINECS) number : | 228-569-2 |
| fl. number : | 09.322 |
| molar refractivity : | 50.11 ± 0.3 cm3 |
| parachor : | 452.1 ± 4.0 cm3 |
| index of refraction : | 1.421 ± 0.02 |
| surface tension : | 27.4 ± 3.0 dyne/cm |
| density : | 0.872 ± 0.06 g/cm3 |
| polarizability : | 19.86 ± 0.5 10-24cm3 |
| XlogP : | 3.30 |
| XlogP3-AA : | 3.30 |
| molecular weight : | 172.2646000 (IUPAC) (PT) (112) |
| formula : | C10 H20 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.60.0000 |
| fda reg : | unspecified |
Suppliers :
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| Grau Aromatics : | BUTYL-2-METHYLVALERATE
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| Inoue : | BUTYL 2-METHYL VALERATE
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| Nanjing : | pentanoic acid 2-methyl-,butyl ester
orders in chinese. |
| TCI AMERICA : | Butyl 2-Methylvalerate
>98.0%(GC) |
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. | aromatic floral fruity chamomile rose |
| substantivity : | 4 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| Food Chemicals Codex Listed : | No |
| flash point : | 171.00 °F. TCC ( 77.22 °C. )
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| logP (o/w) : | 3.71 |
safety :
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| Oral Toxicity(LD50) : | |
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Oral-Mouse 8000.00 mg/kg
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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 chamomile valerate fragrance usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for chamomile valerate flavor usage levels up to : |
| | not for flavor use.
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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 : | 2 |
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| | butyl 2-methylpentanoate |
| (EINECS) number : | 228-569-2 |
| chemidplus : | 006297412 |
| EPA Substance Registry Services : | 6297-41-2 |
| dtp/nci : | 17885 |
references :
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| | butyl 2-methylpentanoate |
| fl. number : | 09.322 |
| NIST Chemistry WebBook : | 324799479 |
| pubchem : | 672697 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| FMA : | listed |