beta-irone
3-buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-
Identification
| Name | beta-irone |
| CAS Number | 79-70-9 |
| EINECS | 201-220-1 |
| FDA UNII | Search |
| Molecular Formula | C14 H22 O |
| Molecular Weight | 206.32854000 |
| Nikkaji Number | J1.653.769A |
Regulatory
| DG SANTE Food Flavourings | 07.200 4-(2,5,6,6-tetramethylcyclohex-1-en-1-yl)but-3-en-2-one |
Physical Properties
| Appearance | pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.92400 to 0.93600 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.689 to 7.788 |
| Refractive Index | 1.49300 to 1.50400 @ 20.00 °C. |
| Boiling Point | 97.00 to 98.00 °C. @ 2.00 mm Hg, 293.00 to 295.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point | 260.00 °F. TCC ( 126.67 °C. ) |
| logP (o/w) | 4.345 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 264 hour(s) at 100.00 % |
| Odor Description | at 10.00 % in dipropylene glycol. |
| Odor sample from | Roure Bertrand Dupont Inc. |
| Taste Description | floral berry fruity jammy tropical violet woody powdery |
Safety Information
| European information | Most important hazard(s): |
| 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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| maximum skin levels for fine fragrances | 0.0200 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). (IFRA, 2001) |
| Recommendation for beta-irone usage levels up to | 2.0000 % in the fragrance concentrate. |
| use level in formulae for use in cosmetics | 0.1000 % |
| Dermal Systemic Exposure in Cosmetic Products | 0.0025 mg/kg/day (IFRA, 2001) |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 4900 (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) | 20.00000 |
| 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) | - |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 5.00000 |
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Exchange of knowledge
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Potential Uses
Natural Occurrence
Synonyms
3-
buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-
beta-
irone
2-
methyl-9-apo-b-caroten-9-one
5-
methyl-beta-ionone
(E)-4-(2,5,6,6-
tetramethyl-1-cyclohexenyl)but-3-en-2-one
(3E)-4-[2,5,6,6-
tetramethyl-1-cyclohexenyl]-3-buten-2-one
4-(2,5,6,6-
tetramethylcyclohex-1-en-1-yl)but-3-en-2-one
US Patents:
5,113,021 - Process for the manufacture of a mixture of .alpha.- and .beta.-irone
PubMed:
New constituents from the rhizomes of Egyptian Iris germanica L.
PubMed:
Applications of biocatalysis in fragrance chemistry: the enantiomers of alpha-, beta-, and gamma-irones.
PubMed:
A pilot study of coupled plasma filtration with adsorption in septic shock.