5-methyl-3-heptanone
3-heptanone, 5-methyl-
Identification
| Name | 5-methyl-3-heptanone |
| IUPAC | (5S)-5-methylheptan-3-one |
| EINECS | 208-793-7 |
| FDA UNII | Search |
| Molecular Formula | C8 H16 O |
| Molecular Weight | 128.21472000 |
| MDL Number | MFCD00009340 |
| Nikkaji Number | J56.324B |
| Beilstein | 0506345 |
Regulatory
| DG SANTE Food Flavourings | 07.182 5-methylheptan-3-one |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.81600 to 0.82400 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.790 to 6.857 |
| Refractive Index | 1.41800 to 1.42400 @ 20.00 °C. |
| Boiling Point | 158.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 2.444000 mmHg @ 25.00 °C. (est) |
| Flash Point | 111.00 °F. TCC ( 43.89 °C. ) |
| logP (o/w) | 2.350 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 100.00 %. |
| Taste Description | fruity citrus |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 3500 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 16000 mg/kg |
| Inhalation Toxicity | inhalation-mouse LCLo 3484 ppm/4H |
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) | 0.32 (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
sec-
amyl ethyl ketone
ethyl 2-methyl butyl ketone
ethyl 2-methylbutyl ketone
ethyl sec-amyl ketone
ethyl sec-amylketone
3-
heptanone, 5-methyl-
ketone, ethyl 2-methylbutyl
2-
methyl butyl ethyl ketone
5-
methyl heptan-3-one
methyl heptanone
5-
methyl-3-heptanone
3-
methyl-5-heptanone
5-
methyl-heptan-3-one
2-
methylbutyl ethyl ketone
5-
methylheptan-3-one
methylheptanone
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