| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 122-73-6 |
| ECHA EC Number: | 204-570-3 |
| FDA UNII: | I8034PF326 |
| Category: | fragrance agents |
| IUPAC Name: | gardenia oxide |
| InChI : | InChI=1/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3 |
| Std.InChI: | InChI=1S/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3 |
| InChIKey : | RXXCIBALSKQCAE-UHFFFAOYAA |
| Std.InChIKey: | RXXCIBALSKQCAE-UHFFFAOYSA-N |
| SMILES : | CC(C)CCOCC1=CC=CC=C1 |
| MDL: | MFCD00048371 |
| Molar Refractivity : | 56.03 ± 0.3 cm3 (est) |
| Parachor : | 460.0 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.486 ± 0.02 (est) |
| Surface Tension : | 30.9 ± 3.0 dyne/cm (est) |
| Density : | 0.914 ± 0.06 g/cm3 (est) |
| Polarizability : | 22.21 ± 0.5 10-24cm3 (est) |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.90400 to 0.90800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.522 to 7.555 |
| Refractive Index: | 1.48100 to 1.48500 @ 20.00 °C. |
| Boiling Point: | 237.00 to 238.00 °C. @ 748.00 mm Hg |
| Boiling Point: | 105.00 °C. @ 20.00 mm Hg |
| Vapor Pressure: | 0.101000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 3.725 (est) |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| alcohol | |
| isopropyl myristate | |
| paraffin oil | |
| water, 41.57 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| Aromiens International |
| Benzyl Isoamyl Ether |
| Aromiens International |
| Benzyl Isoamyl Ether |
| Bedoukian Research |
| GARDENIA ETHER ≥98.5% (sum of isomers), Kosher Odor: Fruity, gardenia, jasmine Use: Used to round out sharp notes in gardenia, jasmine, lilac compositions. |
| BOC Sciences |
| For experimental / research use only. |
| GARDENIA ETHER 98.5% |
| Indenta Group |
| Benzyl Isoamyl Ether |
| Lluch Essence |
| BENZYL ISOAMYL ETHER |
| Penta International |
| BENZYL ISOAMYL ETHER |
| Reincke & Fichtner |
| Benzyl isoamyl ether |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Benzyl Isoamyl Ether |
| Synerzine |
| isoAmyl Benzyl Ether |
| Taytonn ASCC |
| Benzyl Isoamyl Ether Odor: Floral, Fruity, Green, Herbal/ Herbaceous |
| TCI AMERICA |
| For experimental / research use only. |
| Benzyl Isoamyl Ether >98.0%(GC) |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 37/38 - Irritating to respiratory system and skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. 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) | |
| Acute toxicity, Oral (Category 4), H302 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H302 - Harmful if swallowed | |
| Precautionary statement(s) | |
| P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P330 - Rinse mouth. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 12 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 5000 mg/kg Dispose of contents/ container to an approved waste disposal plant. | |
| 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 | |||
| Recommendation for gardenia oxide usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Recommendation for gardenia oxide flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):122-73-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :31227 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3-methylbutoxymethylbenzene |
| Chemidplus:0000122736 |
| RTECS:KM9620000 for cas# 122-73-6 |
| 3-methylbutoxymethylbenzene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 122-73-6 |
| Pubchem (cid): | 31227 |
| Pubchem (sid): | 134974050 |
| (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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2909.30.6000 |
| ChemSpider: | View |
| not found in nature |
| iso | amyl benzyl ether |
| tert- | amyl benzyl ether |
| benzene, ((3-methylbutoxy)methyl)- | |
| benzene, [(3-methylbutoxy)methyl]- | |
| benzyl 3-methylbutyl ether | |
| benzyl isoamyl ether | |
| benzyl isopentyl ether | |
| ether, benzyl isopentyl | |
| gardenia ether (Bedoukian) | |
| gardenia oxide | |
| ((3- | methyl butoxy)methyl) benzene |
| [(3- | methylbutoxy)methyl]benzene |
| 3- | methylbutoxymethylbenzene |
| None found yet. Try the PubMed Search. |
