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berry hexanoate
General Material Information
| Preferred name | berry hexanoate |
| Trivial Name | Ethyl 6-(acetyloxy)hexanoate |
| Short Description | berryflor (Givaudan) |
| Formula | C10 H18 O4 |
| CAS Number | 104986-28-9 |
| FDA UNII | 1OAQ63V3NJ |
| Nikkaji Number | J1.552.374C |
| MDL | MFCD00672179 |
| xLogP3-AA | 1.40 (est) |
| 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 |
Literature & References
| ethyl 6-acetyloxyhexanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 104986-28-9 |
| Pubchem (cid): | 113640 |
| Pubchem (sid): | 135071154 |
| Publications by US Patents | |
| 4,668,433 - Novel derivatives of 6-hydroxyhexanoates as fragrance ingredients | |
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 |
Suppliers
| BOC Sciences | Givaudan |
| Lluch Essence | Moellhausen |
| Penta International | Tadimety Aromatics |
| The Perfumers Apprentice | Vigon International |
| Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 202.25025939941 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.363 to 8.396 |
| Refractive Index | 1.426 to 1.43 @ 20 °C |
| Boiling Point | 252 to 253°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.02 mmHg @ 25 °C |
| Flash Point TCC Value | 93.33 °C TCC |
| logP (o/w) | 2 |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| water, 125 mg/L @ 20 °C (exp) | Yes |
| Stability | |
| alcoholic - good | Unspecified |
| antiperspirant spray - moderate | Unspecified |
| APC (pH = 10) - poor | Unspecified |
| candles - good | Unspecified |
| damp fabric - moderate | Unspecified |
| dry fabric - poor | Unspecified |
| liquid bleach - poor | Unspecified |
| pH = 2 - poor | Unspecified |
| powder detergent - moderate | Unspecified |
| powder detergent + activator - moderate | Unspecified |
| soap - good | Unspecified |
| toiletries - good | Unspecified |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, floral, anisic, fresh, raspberry, jasmin, balsamic | |
| Odor strength | medium |
| Substantivity | 24 hour(s) at 100.00 % |
| Luebke, William tgsc, (2006) | At 100.00 %. fruity floral anisic fresh raspberry jasmin |
| Berryflor is a floral, fruity, raspberry-like product with jasmine, anise and balsamic aspects. It blends well with floral, woody and musky notes, and with the Isoraldeines and other ionones. It enriches and softens accords in all fields of perfumery. | Fruity, Floral, Fresh, Balsamic |
| General comment | Fruity, Floral-Anisic, Fresh, Balsamin with Jasmine notes |
Potential Uses
| Applications | |
| Odor purposes | Balsam , Berry , Cyclamen , Floral , Fruit , Jasmin , Lily , Musk , Raspberry , Woody |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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: | |
| oral-rat LD50 5044 mg/kg | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| 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 berry hexanoate usage levels up to: | |||
| 25.0000 % in the fragrance concentrate. | |||
| Recommendation for berry hexanoate 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):104986-28-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :113640 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| ethyl 6-acetyloxyhexanoate |
| Chemidplus:0104986289 |