(-)-bornyl isovalerate
bornyl isovalerate (endo-)
Identification
| Name | (-)-bornyl isovalerate |
| IUPAC | [(1S,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 3-methylbutanoate |
| CAS Number | 76-50-6 |
| EINECS | 200-966-5 |
| FDA UNII | 4P1Q0678RW |
| Molecular Formula | C15 H26 O2 |
| Molecular Weight | 238.37062000 |
| MDL Number | MFCD00053464 |
| Nikkaji Number | J310.770A |
| CoE Number | 451 |
| XlogP3 | 4.60 (est) |
Regulatory
| JECFA Food Flavoring | 1393 bornyl isovalerate (endo-) |
| DG SANTE Food Flavourings | 09.456 DL-bornyl isovalerate |
| FEMA Number | 2165 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 76-50-6 ; BORNYL ISOVALERATE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.94400 to 0.94700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.855 to 7.880 |
| Refractive Index | 1.45800 to 1.46100 @ 20.00 °C. |
| Boiling Point | 260.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.012000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w) | 4.889 (est) |
| Soluble in | alcohol |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 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 (-)-bornyl isovalerate usage levels up to | 20.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.12 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.50 (μg/capita/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | 0.90000 |
| beverages(nonalcoholic) | 0.06000 |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.40000 |
| fruit ices | 0.40000 |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 0.90000 |
| 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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Potential Uses
Natural Occurrence
Synonyms
endo-
bornyl 3-methyl butanoate
2-
bornyl 3-methyl butyrate
endo-
bornyl 3-methylbutanoate
2-
bornyl 3-methylbutyrate
bornyl isopentanoate
bornyl isovalerate
2-
bornyl isovalerate
DL-
bornyl isovalerate
dextro-
bornyl isovalerate
endo-
bornyl isovalerate
bornyl isovalerate (endo-)
bornyl isovalerianate
bornyval
endo-3-
methyl butanoic acid 1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl ester
rel-(1R,2S,4R)-1,7,7-3-
methyl butanoic acid trimethyl bicyclo(2.2.1)hept-2-yl ester
endo-3-
methylbutanoic acid 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester
rel-(1R,2S,4R)-1,7,7-3-
methylbutanoic acid trimethylbicyclo(2.2.1)hept-2-yl ester
endo-1,7,7-
trimethyl bicyclo(2.2.1)hept-2-yl 3-methyl butanoate
[(1S,3R,4S)-4,7,7-
trimethyl-3-bicyclo[2.2.1]heptanyl] 3-methylbutanoate
endo-1,7,7-
trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate
iso
valeric acid 2-bornyl ester
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