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| IUPAC name : | 6-[(Z)-pent-2-enyl]oxan-2-one |
| InChI : | InChI=1/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3/b4-3- |
| InChIKey : | XPPALVZZCMPTIV-ARJAWSKDBR |
| SMILES : | CC\C=C/CC1CCCC(=O)O1 |
| cas number : | 25524-95-2 |
| (EINECS) number : | 247-074-2 |
| fema number : | 3745 |
| jecfa number : | 247 |
| fl. number : | 10.033 |
| molar refractivity : | 48.07 ± 0.3 cm3 |
| parachor : | 412.0 ± 6.0 cm3 |
| index of refraction : | 1.462 ± 0.02 |
| surface tension : | 30.9 ± 3.0 dyne/cm |
| density : | 0.962 ± 0.06 g/cm3 |
| polarizability : | 19.05 ± 0.5 10-24cm3 |
| XlogP : | 2.60 |
| molecular weight : | 168.2328400 |
| formula : | C10 H16 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2932.29.6000 |
| fda reg : | unspecified |
Suppliers :
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| Penta : | jasminlactone
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organoleptics :
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| odor type : | creamy |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | creamy waxy jasmin peach coconut |
| odor sample from : | Bedoukian Research, Inc. |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99300 to 1.00000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.263 to 8.321
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| refractive index : | 1.47300 to 1.48000 @ 20.00 °C.
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| boiling point : | 115.00 °C. @ 2.00 mm Hg
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| boiling point : | 279.00 to 281.00 °C. @ 760.00 mm Hg
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| flash point : | 230.00 °F. TCC ( 110.00 °C. )
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| logP (o/w) : | 2.01 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and 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 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : |
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Not determined
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for creamy lactone usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for creamy lactone usage levels up to : |
| | 75.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 6-[(Z)-pent-2-enyl]oxan-2-one
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| (EINECS) number : | 247-074-2 |
| chemidplus : | 025524952 |
| EPA Substance Registry Services : | 25524-95-2 |
references :
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| | 6-[(Z)-pent-2-enyl]oxan-2-one
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| fl. number : | 10.033 |
| jecfa number : | 247 |
| NIST Chemistry WebBook : | 25524952 |
| pubchem : | 204825 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1988)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |