5-methyl-2-hexanone
2-hexanone, 5-methyl-
Identification
| Name | 5-methyl-2-hexanone |
| IUPAC | 5-methylhexan-2-one |
| CAS Number | 110-12-3 |
| EINECS | 203-737-8 |
| FDA UNII | 6O4A4A5F28 |
| Molecular Formula | C7 H14 O |
| Molecular Weight | 114.18778000 |
| MDL Number | MFCD00008950 |
| Nikkaji Number | J36.968C |
| Beilstein | 0506163 |
| CoE Number | 2144 |
| XlogP3 | 1.90 (est) |
Regulatory
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.91300 @ 20.00 °C. |
| Refractive Index | 1.40780 @ 20.00 °C. |
| Melting Point | -74.00 °C. @ 760.00 mm Hg |
| Boiling Point | 141.00 to 148.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 5.197000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 3.94 ( Air = 1 ) |
| Flash Point | 96.00 °F. TCC ( 36.00 °C. ) |
| logP (o/w) | 1.880 |
| Soluble in | alcohol |
No sensory data available
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 3200 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 10 ml/kg |
| Inhalation Toxicity | inhalation-rat LC50 3813 ppm/6H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | herbicides / pesticides |
| Recommendation for 5-methyl-2-hexanone usage levels up to | not for fragrance use. |
| Recommendation for 5-methyl-2-hexanone flavor usage levels up to | not for flavor use. |
Penta International Corporation
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Potential Uses
Natural Occurrence
Synonyms
iso
amyl methyl ketone
iso
butyl acetone
iso
butylacetone
2-
hexanone, 5-methyl-
ketone, isopentyl methyl
ketone, methyl isoamyl
5-
methyl hexan-2-one
methyl isoamyl ketone
methyl isopentyl ketone
2-
methyl-5-hexanone
5-
methyl-hexan-2-one
5-
methylhexan-2-one
MIAK
iso
pentyl methyl ketone
Info:
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)