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| IUPAC name : | 5-methylhexan-2-one |
| InChI : | InChI=1/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3 |
| InChIKey : | FFWSICBKRCICMR-UHFFFAOYAQ |
| SMILES : | CC(C)CCC(=O)C |
| cas number : | 110-12-3 |
| (EINECS) number : | 203-737-8 |
| eu annex : | 606-026-00-4 |
| beilstein number : | 0506163 |
| coe number : | 2144 |
| fl. number : | 07.073 |
| molar refractivity : | 34.46 ± 0.3 cm3 |
| parachor : | 313.0 ± 4.0 cm3 |
| index of refraction : | 1.401 ± 0.02 |
| surface tension : | 23.9 ± 3.0 dyne/cm |
| density : | 0.806 ± 0.06 g/cm3 |
| polarizability : | 13.66 ± 0.5 10-24cm3 |
| XlogP : | 2.10 |
| molecular weight : | 114.1854600 (IUPAC) |
| formula : | C7 H14 O |
| BioActivity Analysis : | 48415106 |
| pherobase : | view |
| NMR Predictor : | Predict |
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| export tariff code : | 2914.19.0000 |
| fda reg : | unspecified |
Suppliers :
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| Inoue : | isoAMYL METHYL KETONE
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| Penta : | methyl isoamyl ketone
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organoleptics :
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properties :
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| appearence : | colorless clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 143.00 to 144.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 5.77000 mm/Hg @ 25.00 °C. |
| vapor density : | 3.94 ( Air = 1 ) |
| flash point : | 106.00 °F. TCC ( 41.11 °C. )
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| logP (o/w) : | 1.88 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 10 - Flammable. R 20 - Harmful by inhalation. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 23 - Do not breath vapour. 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 37/39 - Wear suitable gloves and eye/face protection.
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| Oral Toxicity(LD50) : |
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Oral-Rat 3200.00 mg/kg
Oral-Mouse 2542.00 mg/kg
Intraperitoneal-Mouse 800.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 10.00 ml/kg
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| Inhalation Toxicity(LC50) : |
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Inhalation-Rat 3813.00 ppm/6H
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safety in use :
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| recommendation for 5-methyl-2-hexanone fragrance usage levels up to : |
| | not for fragrance use.
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safety references :
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| EPI System : | view |
| NIOSH International Chemical Safety Cards : | search |
| NIOSH Pocket Guide : | search |
| NLM Hazardous Substances Data Bank : | search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 2302 |
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| WGK Germany : | 1 |
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| | 5-methylhexan-2-one |
| (EINECS) number : | 203-737-8 |
| RTECS : | 110-12-3 |
| chemidplus : | 000110123 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 110-12-3 |
references :
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| | 5-methylhexan-2-one |
| fl. number : | 07.073 |
| NIST Chemistry WebBook : | 1445946209 |
| pubchem : | 151150 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |