2(1)-orris butanal
cetonal (Givaudan)
Identification
| Name | 2(1)-orris butanal |
| IUPAC | 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentanal |
| CAS Number | 65405-84-7 |
| EINECS | 265-747-9 |
| FDA UNII | Search |
| Molecular Formula | C14 H24 O |
| Molecular Weight | 208.34448000 |
Regulatory
Physical Properties
| Appearance | pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 305.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.005000 mmHg @ 25.00 °C. (est) |
| Flash Point | 203.00 °F. TCC ( 95.00 °C. ) |
| logP (o/w) | 4.820 (est) |
| Soluble in | alcohol |
| Stability | alcoholic - good |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 24 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Orris, Woody, Powerful
|
Safety Information
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 8370 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| 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 2(1)-orris butanal usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 1600 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| 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
cetonal (Givaudan)
cyclohexenebutanal, alpha,2,2,6-tetramethyl-
2-
methyl-4-(2,6,6-trimethyl-2-cyclohexenyl)butanal
2-
methyl-4-(2,6,6-trimethyl-2(1)-cyclohexen-1-yl) butanal
2(1)-
orris butanal
alpha,2,2,6-
tetramethyl cyclohexene butanal
alpha,2,2,6-
tetramethyl cyclohexene-1-butyraldehyde
alpha,2,2,6-
tetramethylcyclohexene-1-butyraldehyde
alpha,2,2,6-
tetramethylcyclohexenebutanal
4-(2,6,6-
trimethyl-1-cyclohex-2-enyl)pentanal
4-(2,6,6-
trimethyl-2(and/or 3)-cyclohexen)-2-methyl butanal
4-(2,6,6-
trimethyl-2(and/or 3)-cyclohexene)-2-methylbutanal
4-(2,6,6-
trimethylcyclohex-2-en-1-yl)pentanal
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