| |
| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. |
| |
|
|
| IUPAC name : | (Z)-oct-5-en-1-ol |
| InChI : | InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h3-4,9H,2,5-8H2,1H3/b4-3- |
| InChIKey : | VDHRTASWKDTLER-ARJAWSKDBY |
| SMILES : | CC\C=C/CCCCO |
| cas number : | 64275-73-6 |
| % from : | 90.00% to 95.00% |
| (EINECS) number : | 264-764-9 |
| fema number : | 3722 |
| coe number : | 2113 |
| jecfa number : | 322 |
| fl. number : | 02.113 |
| molar refractivity : | 40.70 ± 0.3 cm3 |
| parachor : | 354.3 ± 4.0 cm3 |
| index of refraction : | 1.449 ± 0.02 |
| surface tension : | 29.7 ± 3.0 dyne/cm |
| density : | 0.845 ± 0.06 g/cm3 |
| polarizability : | 16.13 ± 0.5 10-24cm3 |
| XlogP : | 2.60 |
| molecular weight : | 128.2120400 (IUPAC) |
| formula : | C8 H16 O |
| pherobase floral: | view |
| NMR Predictor : | Predict |
|
|
| |
|
| IUPAC name : | (E)-oct-5-en-1-ol |
| InChI : | InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h3-4,9H,2,5-8H2,1H3/b4-3+ |
| InChIKey : | VDHRTASWKDTLER-ONEGZZNKBN |
| SMILES : | CC\C=C\CCCCO |
| cas number : | 64275-73-6 (E) |
| % from : | 5.00% to 10.00% |
| molar refractivity : | 40.70 ± 0.3 cm3 |
| parachor : | 354.3 ± 4.0 cm3 |
| index of refraction : | 1.449 ± 0.02 |
| surface tension : | 29.7 ± 3.0 dyne/cm |
| density : | 0.845 ± 0.06 g/cm3 |
| polarizability : | 16.13 ± 0.5 10-24cm3 |
| XlogP : | 2.60 |
| molecular weight : | 128.2120400 (IUPAC) |
| formula : | C8 H16 O |
| NMR Predictor : | Predict |
|
|
| |
|
| export tariff code : | 2905.29.9000 |
| fda reg : | unspecified |
Suppliers :
|
| Bedoukian Research : | cis-5-OCTEN-1-OL
≥94.0% (cis), Kosher Odor: A fresh watermelon aroma with orange notes Imparts a pleasant, melon or orange topnote. Flavor: green melon Used in orange, mushroom, melon, watermelon and banana flavors. |
| Penta : | cis-5-octen-1-ol
|
| SAFC Global® : | cis-5-Octen-1-ol
≥98%, Kosher Odor: green; fatty |
organoleptics :
|
| odor type : | green |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description: at 1.00 % in dipropylene glycol. | fresh melon watery watermelon Luebke, William tgsc, (1996) |
| odor sample from : | Sigma-Aldrich Inc. |
odor description:
| Green, melon, mushroom, soapy with earthy nuances Mosciano, Gerard P&F 16, No. 3, 79, (1991) |
taste description: at 20.00 ppm. | Green, melon, fruity and mushroom Mosciano, Gerard P&F 16, No. 3, 79, (1991) |
| substantivity : | 12 Hour(s) |
properties :
|
| appearence : | colorless clear liquid |
| assay : | 90.00 to 100.00 % sum of isomers
|
| additional assay information : | (E)-isomer: 5% - 10% |
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.84200 to 0.85000 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.006 to 7.073
|
| refractive index : | 1.44400 to 1.45100 @ 20.00 °C.
|
| boiling point : | 95.00 °C. @ 25.00 mm Hg
|
| vapor pressure : | 0.10000 mm/Hg @ 20.00 °C. |
| vapor density : | >1 ( Air = 1 ) |
| flash point : | 185.00 °F. TCC ( 85.00 °C. )
|
| logP (o/w) : | 2.55 |
| 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. |
safety :
|
| most important hazard(s) : | Xi - Irritant |
| |
R 38 - Irritating to skin. R 41 - Risk of serious damage to eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection.
|
| Oral Toxicity(LD50) : | |
| |
Oral-Rat >5.00 gm/kg
|
| Dermal Toxicity(LD50) : | |
| |
Not determined
|
| Inhalation Toxicity(LC50) : | |
| |
Not determined
|
| |
safety in use :
|
| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.40 (μg/capita/day) |
| |
| recommendation for (Z)-5-octen-1-ol fragrance usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
|
| recommendation for (Z)-5-octen-1-ol flavor usage levels up to : |
| | 20.0000 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 : | 3 |
| |
| |
| |
| | (Z)-oct-5-en-1-ol |
| (EINECS) number : | 264-764-9 |
| chemidplus : | 064275736 |
| EPA Substance Registry Services : | 64275-73-6 |
| | (E)-oct-5-en-1-ol |
references :
|
| | (Z)-oct-5-en-1-ol |
| fl. number : | 02.113 |
| jecfa number : | 322 |
| NIST Chemistry WebBook : | 3298091430 |
| pubchem : | 198867 |
| | (E)-oct-5-en-1-ol |
| pubchem : | 40508640 |
other :
|
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |