nerolin fragarol
beta-naphthyl isobutyl ether
Identification
| Name | nerolin fragarol |
| IUPAC | 2-(2-methylpropoxy)naphthalene |
| CAS Number | 2173-57-1 |
| EINECS | 218-529-2 |
| FDA UNII | KX47O2O15C |
| Molecular Formula | C14 H16 O |
| Molecular Weight | 200.28072000 |
| MDL Number | MFCD00046467 |
| Nikkaji Number | J34.753A |
| Beilstein | 3242529 |
| CoE Number | 11886 |
| XlogP3 | 4.80 (est) |
Regulatory
| JECFA Food Flavoring | 1259 beta-naphthyl isobutyl ether |
| DG SANTE Food Flavourings | 04.054 isobutyl beta-naphthyl ether |
| FEMA Number | 3719 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 2173-57-1 ; BETA-NAPHTHYL ISOBUTYL ETHER |
Physical Properties
| Appearance | white crystalline solid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.01000 @ 25.00 °C. |
| Melting Point | 32.00 to 33.00 °C. @ 760.00 mm Hg |
| Boiling Point | 308.00 to 309.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 4.727 (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 |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 116 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Sweet, musky, strawberry, fruity, orange blossom note. Long lasting weet aromatic floral-fruity, on dilution somewhat orange-blossom and strawberry-like Floral, Fruity, Musk/ Musky, Sweet
|
| Odor sample from | International Flavors & Fragrances Inc. |
| Taste Description |
sweet fruity strawberry naphthyl grape orangeflower strawberry aromatic, slightly reminiscent of orange flowers strawberry
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 [sex: M,F] 5930 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 nerolin fragarol usage levels up to | 10.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1.20 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 2.00 (μg/capita/day) |
| Structure Class | III |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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