(Z)-3-hexen-1-yl benzoate
cis-3-hexenyl benzoate
Identification
| Name | (Z)-3-hexen-1-yl benzoate |
| IUPAC | [(Z)-hex-3-enyl] benzoate |
| CAS Number | 25152-85-6 |
| EINECS | 246-669-4 |
| FDA UNII | P4871S0YA9 |
| Molecular Formula | C13 H16 O2 |
| Molecular Weight | 204.26892000 |
| MDL Number | MFCD00036526 |
| Nikkaji Number | J36.023F |
| CoE Number | 11778 |
| XlogP3 | 4.00 (est) |
Regulatory
| JECFA Food Flavoring | 858 cis-3-hexenyl benzoate |
| DG SANTE Food Flavourings | 09.806 (Z)-hex-3-enyl benzoate |
| FEMA Number | 3688 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 25152-85-6 ; CIS-3-HEXENYL BENZOATE |
Physical Properties
| Appearance | colorless clear oily liquid (est) |
| Assay | 95.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.99500 to 1.00400 @ 25.00 °C., 0.99700 to 1.00500 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.279 to 8.354 |
| Pounds per Gallon - est. | 8.306 to 8.372 |
| Refractive Index | 1.50300 to 1.51400 @ 20.00 °C. |
| Boiling Point | 105.00 °C. @ 1.00 mm Hg, 130.00 °C. @ 5.00 mm Hg |
| Acid Value | 2.00 max. KOH/g |
| Vapor Pressure | 0.002000 mmHg @ 25.00 °C. (est) |
| Vapor Density | >1 ( Air = 1 ) |
| Flash Point | 230.00 °F. TCC ( 110.00 °C. ) |
| logP (o/w) | 4.241 (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 | > 8 hour(s) at 100.00 % |
| Odor Description |
at 100.00 %. Green, sweet, oily, floral, spicy, with fruity undertones Green, herbaceous, floral, and woody Slightly green with a mild herbaceous quality green, aromatic, herbaceous, woody green narcotic aromatic herbaceous fresh natural mild leaf Green-leafy, herbal, woody. Tenacious Green, fresh, sweet, fruity Mild green leaf odor, very discret with a strong fixative effect and woody undertone
|
| Odor sample from | Bedoukian Research, Inc. |
| Taste Description |
at 10.00 ppm. Green, fruity, floral fatty floral green fruity spice woody fatty, floral green, fruity, spicy with woody nuances
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| 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 |
| limits in the finished product for - "leave on the skin contact" | 0.5000 % Recommendation. |
| limits in the finished product for - "wash off the skin contact" | 0.5000 % Recommendation. |
| limits in the finished product for - "no skin contact" | 5.0000 % Recommendation. |
| Recommendation for (Z)-3-hexen-1-yl benzoate usage levels up to | 5.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 6.70 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.10 (μg/capita/day) |
| Structure Class | I |
| 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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