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hydroxycitronellal / methyl anthranilate schiff's base
General Material Information
| Preferred name | hydroxycitronellal / methyl anthranilate schiff's base |
| Trivial Name | Aurantiol |
| Short Description | aurantiol (Givaudan) |
| Formula | C18 H27 N O3 |
| CAS Number | 89-43-0 |
| Deleted CAS Number | 61792-01-6 |
| ECHA Number | 201-908-1 |
| FDA UNII | Search |
| Nikkaji Number | J60.365A |
| MDL | MFCD00021817 |
| xLogP3-AA | 3.30 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
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PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 305.41778564453 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.501 to 8.548 |
| Refractive Index | 1.5036 to 1.5109 @ 20 °C |
| Vapor Pressure | 0.004 mmHg @ 20 °C |
| Flash Point TCC Value | 93.89 °C TCC |
| logP (o/w) | 5.417 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Solubility | |
| alcohol | Yes |
| water, 3.603 mg/L @ 25 °C (est) | Yes |
| paraffin oil | No |
Organoleptic Properties
| Odor Type: Floral | |
| floral, lily, orangeflower, sweet | |
| Odor strength | medium , recommend smelling in a 50.00 % solution or less |
| Substantivity | 400 hour(s) at 100.00 % |
| Luebke, William tgsc, (1983) | At 50.00 % in dipropylene glycol. floral lily orange blossom sweet |
| Aurantiol is perhaps the best known Schiff base and is extensively used in a large variety of floral notes such as orange-blossom, linden-blossom and tuberose. Used in citrus cologne types, it acts as an excellent fixative as well as exalting the top notes. It gives an oriental character when used in amber an chypre compositions and blends particularly well with macrocyclic musks. | Floral, Orange flower, Linden-Blossom |
| General comment | Neroli, orange, muguet and grape facets |
| Aurantiol is perhaps the best-known Schiff’s base (hydroxycitronellal / methyl anthranilate); extensively used in a large variety of floral notes such as orange-blossom, linden-blossom and tuberose. Used in citrus cologne types, it acts as an excellent fixative as well as exalting the top notes. It gives an oriental character when used in amber and chypre compositions and blends particularly well with macrocyclic musks. | Sweet, floral-orange-blossom, linden-blossom, neroli and lily, amber |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Amber , Berry , Bubble gum , Carnation , Chypre , Citrus , Country meadow , Fern , Gardenia , Grape , Hibiscus , Honey , Honeysuckle , Hyacinth , Jasmin , Lavender , Lilac , Lily , Lily of the valley , Linden flower , Magnolia , Mandarin , Melon , Narcissus , Neroli , Orange blossom , Oriental , Rose , Tuberose , Ylang ylang |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 Chronic aquatic toxicity (Category 2), H411 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |   |
| Signal word | Warning |
| Hazard statement(s) | |
| H315 - Causes skin irritation H319 - Causes serious eye irritation H335 - May cause respiratory irritation H411 - Toxic to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P271 - Use only outdoors or in a well-ventilated area. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P391 - Collect spillage. Hazardous to the aquatic environment P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg Dispose of contents/ container to an approved waste disposal plant. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 10000 mg/kg Dispose of contents/ container to an approved waste disposal plant. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| IFRA Critical Effect: | |||
| Sensitization | |||
| IFRA fragrance material specification: | |||
| The IFRA Scientific Committee examined the physicochemical properties of Schiff bases and concluded that, based on the available information, these materials should be considered under contributions from other sources. By default, the stoichiometric presence of the aldehydes of the Schiff bases is taken into account assuming 100% dissociation. An indicative list of Schiff bases incorporating aldehydes covered by an IFRA Standard of restriction is reported at page 2. These Schiff bases must be taken into account for determination of the maximum use level of the respective aldehydes. | |||
| contains the following IFRA (Annex) restricted components: (non-analysis max. level reference only) | |||
| hydroxycitronellal | Max. Found: 56.4 % and Reason: Sensitization | ||
| Recommendation for hydroxycitronellal / methyl anthranilate schiff's base usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Recommendation for hydroxycitronellal / methyl anthranilate schiff's base flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):89-43-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :98118 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| methyl 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate |
| Chemidplus:0000089430 |