| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate |
| InChI : | InChI=1/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9- |
| InChIKey : | BYCHQEILESTMQU-XFXZXTDPBO |
| SMILES : | CCC(=O)OC\C=C(\C)/CCC=C(C)C |
| cas number : | 105-91-9 |
| (EINECS) number : | 203-345-7 |
| fema number : | 2777 |
| coe number : | 509 |
| jecfa number : | 63 |
| fl. number : | 09.169 |
| molar refractivity : | 63.85 ± 0.3 cm3 |
| parachor : | 540.8 ± 4.0 cm3 |
| index of refraction : | 1.459 ± 0.02 |
| surface tension : | 28.8 ± 3.0 dyne/cm |
| density : | 0.900 ± 0.06 g/cm3 |
| polarizability : | 25.31 ± 0.5 10-24cm3 |
| XlogP : | 3.50 |
| molecular weight : | 210.3125800 |
| formula : | C13 H22 O2 |
| NMR Predictor : | Predict |
|
|
| |
| |
| export tariff code : | 2915.50.3000 |
| fda reg : | 172.515 |
Suppliers :
|
| Bedoukian Research : | NERYL PROPIONATE
≥97.0%, Kosher Odor: fruity, jammy |
| Cargill - Alfrebro : | NERYL PROPIONATE
natural, Kosher Odor: Sweet, fruity, berry. |
| Fleurchem : | neryl propionate
natural |
| Grau Aromatics : | NERYL-PROPIONATE
NI, Kosher |
| Inoue : | NERYL PROPIONATE
|
| Penta : | neryl propionate
|
| Penta : | neryl propionate
natural |
organoleptics :
|
| odor type : | fruity |
| odor strength : | medium |
odor description : at 100.00 %. | fruity floral green jammy berry |
natural odor description :¹ at 100.00 %. | fruity geranium green neroli grape berry jam waxy |
| natural odor sample from : | Alfrebro, Inc. |
| substantivity : | 10 hour(s) at 100.00 % |
properties :
|
| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 to 100.00 % sum of isomers
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.90300 to 0.91100 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.514 to 7.580
|
| refractive index : | 1.45000 to 1.47000 @ 20.00 °C.
|
| boiling point : | 233.00 °C. @ 760.00 mm Hg
|
| acid value : | 1.00 max. KOH/g
|
| vapor pressure : | 0.01280 mm/Hg @ 25.00 °C. |
| vapor density : | >1 ( Air = 1 ) |
| flash point : | 230.00 °F. TCC ( 110.00 °C. )
|
| logP (o/w) : | 4.64 |
safety :
|
| most important hazard(s) : | None - None found. |
| |
S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
|
| Human experience : | 6 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
| |
Oral-Rat >5000.00 mg/kg (Moreno, 1975f)
|
| Dermal Toxicity(LD50) : |
| |
Skin-Rabbit >5000.00 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 629, 1976.
|
| Inhalation Toxicity(LC50) : |
| |
Not determined
|
| |
safety in use :
|
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 3.70 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 1.10 (μg/capita/day) |
| |
| recommendation for neryl propionate usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
|
| recommendation for neryl propionate usage levels up to : |
| | 25.0000 ppm in the flavor.
|
safety references :
|
| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| |
| WGK Germany : | 2 |
| |
| |
| |
| | [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate
|
| (EINECS) number : | 203-345-7 |
| chemidplus : | 000105919 |
| EPA Substance Registry Services : | 105-91-9 |
references :
|
| | [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate
|
| fl. number : | 09.169 |
| jecfa number : | 63 |
| NIST Chemistry WebBook : | 1117483116 |
| pubchem : | 150874 |
Cosmetics :
|
| Cosmetic uses : |
perfuming agents
|
other :
|
| reference (natural) : | Luebke, William tgsc, (2009)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |