| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 6-pentyloxan-2-one |
| InChI : | InChI=1/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3 |
| InChIKey : | GHBSPIPJMLAMEP-UHFFFAOYAW |
| SMILES : | CCCCCC1CCCC(=O)O1 |
| cas number : | 705-86-2 |
| (EINECS) number : | 211-889-1 |
| beilstein number : | 0117520 |
| fema number : | 2361 |
| coe number : | 621 |
| jecfa number : | 232 |
| fl. number : | 10.007 |
| molar refractivity : | 48.01 ± 0.3 cm3 |
| parachor : | 424.4 ± 6.0 cm3 |
| index of refraction : | 1.443 ± 0.02 |
| surface tension : | 30.1 ± 3.0 dyne/cm |
| density : | 0.940 ± 0.06 g/cm3 |
| polarizability : | 19.03 ± 0.5 10-24cm3 |
| XlogP : | 3.10 |
| molecular weight : | 170.2487200 |
| formula : | C10 H18 O2 |
| NMR Predictor : | Predict |
|
|
| |
|
| IUPAC name : | (6R)-6-pentyloxan-2-one |
| InChI : | InChI=1/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3/t9-/m1/s1 |
| InChIKey : | GHBSPIPJMLAMEP-SECBINFHBT |
| SMILES : | CCCCC[C@@H]1CCCC(=O)O1 |
| cas number : | 2825-91-4 |
| molar refractivity : | 48.01 ± 0.3 cm3 |
| parachor : | 424.4 ± 6.0 cm3 |
| index of refraction : | 1.443 ± 0.02 |
| surface tension : | 30.1 ± 3.0 dyne/cm |
| density : | 0.940 ± 0.06 g/cm3 |
| polarizability : | 19.03 ± 0.5 10-24cm3 |
| XlogP : | 3.10 |
| molecular weight : | 170.2487200 |
| formula : | C10 H18 O2 |
| NMR Predictor : | Predict |
|
|
| |
|
| IUPAC name : | (6S)-6-pentyloxan-2-one |
| InChI : | InChI=1/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3/t9-/m0/s1 |
| InChIKey : | GHBSPIPJMLAMEP-VIFPVBQEBQ |
| SMILES : | CCCCC[C@H]1CCCC(=O)O1 |
| cas number : | 59285-67-5 |
| molar refractivity : | 48.01 ± 0.3 cm3 |
| parachor : | 424.4 ± 6.0 cm3 |
| index of refraction : | 1.443 ± 0.02 |
| surface tension : | 30.1 ± 3.0 dyne/cm |
| density : | 0.940 ± 0.06 g/cm3 |
| polarizability : | 19.03 ± 0.5 10-24cm3 |
| XlogP : | 3.10 |
| molecular weight : | 170.2487200 |
| formula : | C10 H18 O2 |
| NMR Predictor : | Predict |
|
|
| |
|
| export tariff code : | 2932.29.6000 |
| fda reg : | 172.515 |
Suppliers :
|
| Advanced Biotech : | delta-decalactone
95% min. natural Odor: Peach, creamy. |
| Advanced Biotech : | delta-decalactone
99% min. synthetic Odor: Peach, creamy. |
| Bedoukian Research : | delta-DECALACTONE
≥98.0% (sum of isomers), Kosher Odor: A creamy, coconut, peach-like odor with celery undertones. |
| Berje : | delta-Decalactone
|
| Citrus and Allied Essences : | delta-decalactone
(natural) |
| Citrus and Allied Essences : | delta-decalactone
FCC |
| Fleurchem : | d-decalactone
natural |
| Fleurchem : | d-decalactone
|
| Fontarome : | DELTA-DECALACTONE
Odor: Coconut-fruity |
| IFF : | delta-Decalactone
≥98.00%, natural, Kosher |
| Inoue : | delta-DECALACTONE
|
| Mane : | delta-decalactone
|
| Moellhausen : | delta-decalactone
98% min. nature identical kosher Odor: fruity, peach note, butter. Flavor: fruity peach note, creamy, nutty. |
| Mooreganics : | delta-Decalactone
Natural (Organic Compliant) |
| Penta : | delta-decalactone
|
| Polarome : | delta-DECALACTONE
FCC |
| Sigma-Aldrich-SAFC : | delta-Decalactone
≥98%, FCC, Kosher Odor: butter; coconut; creamy; fruity; peach; plum; sweet; wine-like. |
| Sigma-Aldrich-SAFC : | delta-Decalactone
≥98%, natural, FCC, Kosher, FG Odor: butter; coconut; creamy; fruity; peach; plum; sweet; wine-like. |
organoleptics :
|
| odor type : | coconut |
| odor strength : | medium |
odor description :¹ at 100.00 %. | fresh sweet oily coconut fruity peach creamy dairy |
| odor sample from : | CA Aromatics Company Inc. |
| substantivity : | 400 Hour(s) |
properties :
|
| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 % sum of isomers
|
| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.95800 to 0.97600 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.972 to 8.121
|
| refractive index : | 1.45600 to 1.45900 @ 20.00 °C.
|
| melting point : | -27.00 °C. @ 760.00 mm Hg
|
| boiling point : | 117.00 to 120.00 °C. @ 0.02 mm Hg
|
| boiling point : | 281.00 °C. @ 760.00 mm Hg
|
| acid value : | 5.00 max. KOH/g
|
| saponification value : | 323.00 to 333.00
|
| vapor pressure : | 0.00100 mm/Hg @ 20.00 °C. |
| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
|
| logP (o/w) : | 2.42 |
| shelf life : | 12.00 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 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
|
| Human experience : | 1 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
| |
Oral-Rat >5000.00 mg/kg (Levenstein, 1975c)
|
| Dermal Toxicity(LD50) : |
| |
Skin-Rabbit >5.00 gm/kg FCTXAV
|
| Inhalation Toxicity(LC50) : |
| |
Not determined
|
| |
safety in use :
|
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 7200.00 (μg/capita/day) |
| |
| recommendation for delta-decalactone usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
|
| recommendation for delta-decalactone usage levels up to : |
| | 50.0000 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 |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| |
| WGK Germany : | 1 |
| |
| |
| |
| | 6-pentyloxan-2-one
|
| (EINECS) number : | 211-889-1 |
| RTECS : | UQ1355000 for 705-86-2 |
| chemidplus : | 000705862 |
| EPA Substance Registry Services : | 705-86-2 |
| |
| |
| | (6R)-6-pentyloxan-2-one
|
| chemidplus : | 2825-91-4 |
| EPA Substance Registry Services : | 2825-91-4 |
| |
| |
| | (6S)-6-pentyloxan-2-one
|
| chemidplus : | 59285-67-5 |
| EPA Substance Registry Services : | 59285-67-5 |
references :
|
| | 6-pentyloxan-2-one
|
| fl. number : | 10.007 |
| jecfa number : | 232 |
| NIST Chemistry WebBook : | 679419431 |
| pubchem : | 156154 |
| | (6R)-6-pentyloxan-2-one
|
| pubchem : | 40891473 |
| | (6S)-6-pentyloxan-2-one
|
| pubchem : | 43216243 |
Cosmetics :
|
| Cosmetic uses : |
masking agents
perfuming agents
|
other :
|
| reference : | Luebke, William tgsc, (1997)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |