1-octen-3-yl butyrate
oct-1-en-3-yl butyrate
Identification
| Name | 1-octen-3-yl butyrate |
| IUPAC | oct-1-en-3-yl butanoate |
| CAS Number | 16491-54-6 |
| EINECS | 240-555-8 |
| FDA UNII | H8J989X4KJ |
| Molecular Formula | C12 H22 O2 |
| Molecular Weight | 198.30574000 |
| MDL Number | MFCD00036582 |
| Nikkaji Number | J67.416H |
| Beilstein | 1935498 |
Regulatory
| JECFA Food Flavoring | 1837 1-octen-3-yl butyrate |
| DG SANTE Food Flavourings | 09.282 oct-1-en-3-yl butyrate |
| FEMA Number | 3612 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 16491-54-6 ; 1-OCTEN-3-YL BUTYRATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.86300 to 0.87000 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.181 to 7.239 |
| Refractive Index | 1.42400 to 1.43100 @ 20.00 °C. |
| Boiling Point | 225.00 to 227.00 °C. @ 760.00 mm Hg, 80.00 to 81.00 °C. @ 3.50 mm Hg |
| Vapor Pressure | 0.024000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 6.8 ( Air = 1 ) |
| Flash Point | 210.00 °F. TCC ( 98.89 °C. ) |
| logP (o/w) | 4.500 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 5 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. A pleasant mushroom, buttery aroma
|
| Odor sample from | Bedoukian Research, Inc. |
| Taste Description |
green fruity spicy floral waxy leafy mushroom metallic mushroom
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-mouse LD50 3424 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 |
| Recommendation for 1-octen-3-yl butyrate usage levels up to | 1.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.0012 (μg/capita/day) |
| Structure Class | II |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
| 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 |
Beijing Lys Chemicals Co, LTD.
From Grams to Tons
Fine chemical high-tech company which contains R&D, production, and sales.
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Lluch Essence S.L.
A family company dedicated to sales and distribution
Flexibility, availability, price and quality.
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Sigma-Aldrich
Complete Supply Chain
The perfect blend of products and services that bring your creativity to life.
Synerzine, Inc.
Innovation. Customization. Aroma Ingredients.
Synerzine is a leading supplier of flavor and fragrance ingredients.
WholeChem, LLC
Connecting Innovators To the Building Blocks Of the Universe
Custom manufacturer and distributor of specialty ingredients. We make global local.
Potential Uses
Natural Occurrence
Synonyms
amylvinylcarbinyl butyrate
butanoic acid ethenylhexyl ester
butanoic acid, 1-ethenylhexyl ester
butyric acid, 1-pentylallyl ester
butyric acid, 1-vinylhexyl ester
1-
ethenylhexyl butanoate
oct-1-en-3-yl butanoate
oct-1-en-3-yl butyrate
1-
octen-3-ol butyrate
1-
octen-3-ylbutyrate
1-
pentyl allyl butyrate
1-
pentylallyl butyrate
1-
vinyl hexyl butyrate
1-
vinylhexyl butyrate
PubMed:
Acaricidal activities of the active component of Lycopus lucidus oil and its derivatives against house dust and stored food mites (Arachnida: Acari).