6-methyl-2-heptanone
heptan-2-one, 6-methyl-
Identification
| Name | 6-methyl-2-heptanone |
| IUPAC | 6-methylheptan-2-one |
| CAS Number | 928-68-7 |
| EINECS | 213-179-7 |
| FDA UNII | N203Q7UI56 |
| Molecular Formula | C8 H16 O |
| Molecular Weight | 128.21472000 |
| MDL Number | MFCD00026527 |
| Nikkaji Number | J7.176E |
| CoE Number | 11146 |
| XlogP3 | 2.20 (est) |
Regulatory
| DG SANTE Food Flavourings | 07.181 6-methylheptan-2-one |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.81300 to 0.81900 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.765 to 6.815 |
| Refractive Index | 1.41200 to 1.41800 @ 20.00 °C. |
| Boiling Point | 167.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 1.737000 mmHg @ 25.00 °C. (est) |
| Flash Point | 112.00 °F. TCC ( 44.44 °C. ) |
| logP (o/w) | 2.350 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | oral-rat LD50 6700 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.0012 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 1600 (μg/person/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
| Dairy products, excluding products of category 02.0 (01.0) | 3.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 2.00000 |
| Edible ices, including sherbet and sorbet (03.0) | 3.00000 |
| Processed fruit (04.1) | 2.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 4.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 2.00000 |
| Bakery wares (07.0) | 5.00000 |
| Meat and meat products, including poultry and game (08.0) | 1.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 1.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 2.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 3.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 2.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 4.00000 |
| Ready-to-eat savouries (15.0) | 5.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 2.00000 |
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Potential Uses
Natural Occurrence
Synonyms
heptan-2-one, 6-methyl-
2-
heptanone, 6-methyl-
methyl 4-methylpentyl ketone
6-
methyl heptan-2-one
methyl isohexyl ketone
2-
methyl-6-heptanone
6-
methylheptan-2-one
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