citronellyl hexanoate
citronellyl caproate
Identification
| Name | citronellyl hexanoate |
| IUPAC | 3,7-dimethyloct-6-enyl hexanoate |
| CAS Number | 10580-25-3 |
| EINECS | 234-175-1 |
| FDA UNII | Search |
| Molecular Formula | C16 H30 O2 |
| Molecular Weight | 254.41350000 |
| Nikkaji Number | J183.030I |
Regulatory
| DG SANTE Food Flavourings | 09.341 citronellyl hexanoate |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.87100 to 0.87600 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.248 to 7.289 |
| Refractive Index | 1.44900 to 1.45000 @ 20.00 °C. |
| Boiling Point | 240.00 °C. @ 760.00 mm Hg, 160.00 °C. @ 6.00 mm Hg |
| Vapor Pressure | 0.000190 mmHg @ 25.00 °C. (est) |
| Flash Point | 203.00 °F. TCC ( 95.00 °C. ) |
| logP (o/w) | 6.243 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description |
at 100.00 %. FINE, ROSE, FRUITY, FLORAL
|
| Taste Description | floral |
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| 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 citronellyl hexanoate usage levels up to | 8.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.97 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 3900 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| Dairy products, excluding products of category 02.0 (01.0) | 7.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 5.00000 |
| Edible ices, including sherbet and sorbet (03.0) | 10.00000 |
| Processed fruit (04.1) | 7.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 10.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 5.00000 |
| Bakery wares (07.0) | 10.00000 |
| Meat and meat products, including poultry and game (08.0) | 2.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 2.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 5.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 10.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 5.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 10.00000 |
| Ready-to-eat savouries (15.0) | 20.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 5.00000 |
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Synerzine, Inc.
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Potential Uses
Natural Occurrence
Synonyms
citronellyl caproate
citronellyl hexanoate S
3,7-
dimethyl oct-6-enyl hexanoate
3,7-
dimethyloct-6-en-1-yl hexanoate
3,7-
dimethyloct-6-enyl hexanoate
hexanoic acid 3,7-dimethyl-6-octenyl ester
hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester
hexanoic acid, 3,7-dimethyl-6-octenyl ester
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