| Preferred name | ocean propanal / methyl anthranilate schiff's base |
| Trivial Name | 2-[[3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]benzoate |
| Short Description | helional / methyl anthranilate schiff's base |
| Formula | C19 H19 N O4 |
| CAS Number | 111753-60-7 |
| CAS Number | 104037-85-6 |
| FDA UNII | 9D297714YE |
| Nikkaji Number | J2.191.527K |
| xLogP3-AA | 3.70 (est) |
| NMR Predictor | External link |
| Synonyms |
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| Google Scholar | Start search |
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| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
| (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 |
| BOC Sciences | Ernesto Ventós |
| Pell Wall Perfumes | Penta International |
| Prodasynth | Vigon International |
| Penta International Corporation | Ernesto Ventós S.A. |
| Material listed in food chemical codex | No |
| Molecular weight | 325.36422729492 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.648 to 9.715 |
| Refractive Index | 1.555 to 1.564 @ 20 °C |
| Boiling Point | 491 to 492°C @ 760 mm Hg |
| Flash Point TCC Value | 93.33 °C TCC |
| logP (o/w) | 5.2 est |
| Solubility | |
| alcohol | Yes |
| water, 1.254 mg/L @ 25 °C (est) | Yes |
| water | No |
| Odor Type: Floral | |
| fresh, green, floral, orangeflower, ozone, leafy, cortex | |
| Odor strength | medium , recommend smelling in a 50.00 % solution or less |
| Substantivity | 400 hour(s) at 100.00 % |
| Luebke, William tgsc, (1997) | At 50.00 % in dipropylene glycol. fresh green floral orangeblossom ozone leafy cortex |
| Much fresher and more diffusive than the better-known Schiff’s base of Hydroxycitronellal with Methyl Anthranilate (see Aurantiol). The pure material, when fully reacted, has the consistency of soft rocks and is notoriously difficult to dissolve. Supplied here at 20% in Benzyl benzoate it’s a mobile, though still syrupy, liquid. | Fresh, airy, floral-orangeblossom, ozone, green-leafy. Very diffusive |
| General comment | ORANGE BLOSSOM,GREEN,FLORAL,OZONE |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| 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) | |||
| ocean propanal | Max. Found: 59.1 % and Reason: Sensitization | ||
| Recommendation for ocean propanal / methyl anthranilate schiff's base usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for ocean propanal / methyl anthranilate schiff's base flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :4100752 |
| National Institute of Allergy and Infectious Diseases:Data |
| 2-[[3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]benzoate |
| Chemidplus:0111753607 |
| methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate |
| Chemidplus:0104037856 |