2-methyl butyl octanoate
octanoic acid, 2-methylbutyl ester
Identification
| Name | 2-methyl butyl octanoate |
| IUPAC | 2-methylbutyl octanoate |
| CAS Number | 67121-39-5 |
| FDA UNII | Search |
| Molecular Formula | C13 H26 O2 |
| Molecular Weight | 214.34862000 |
| Nikkaji Number | J1.031.919F |
Regulatory
| DG SANTE Food Flavourings | 09.664 2-methylbutyl octanoate |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.85700 to 0.86300 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.131 to 7.181 |
| Refractive Index | 1.42400 to 1.43000 @ 20.00 °C. |
| Boiling Point | 248.00 to 249.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.024000 mmHg @ 25.00 °C. (est) |
| Flash Point | 220.00 °F. TCC ( 104.44 °C. ) |
| logP (o/w) | 5.307 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
No sensory data available
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| 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 | flavoring agents |
| Recommendation for 2-methyl butyl octanoate usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.37 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 3900 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| Dairy products, excluding products of category 02.0 (01.0) | 7.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 5.00000 |
| Edible ices, including sherbet and sorbet (03.0) | 10.00000 |
| Processed fruit (04.1) | 7.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 10.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 5.00000 |
| Bakery wares (07.0) | 10.00000 |
| Meat and meat products, including poultry and game (08.0) | 2.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 2.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 5.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 10.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 5.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 10.00000 |
| Ready-to-eat savouries (15.0) | 20.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 5.00000 |
Chemical sources Association Inc
Exchange of knowledge
Need This Item for Flavor? You can contact the Chemical Sources Association.
Potential Uses
Natural Occurrence
Synonyms
2-
methyl butyl caprylate
2-
methylbutyl caprylate
(-)-2-
methylbutyl octanoate
2-
methylbutyl octanoate
octanoic acid 2-methylbutyl ester
octanoic acid, 2-methylbutyl ester
Try the PubMed Search.