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| IUPAC name : | undecan-2-one |
| InChI : | InChI=1/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3 |
| InChIKey : | KYWIYKKSMDLRDC-UHFFFAOYAV |
| SMILES : | CCCCCCCCCC(=O)C |
| (EINECS) number : | 203-937-5 |
| cas number : | 112-12-9 |
| beilstein number : | 1749573 |
| fema number : | 3093 |
| coe number : | 150 |
| jecfa number : | 296 |
| fl. number : | 07.016 |
| molar refractivity : | 53.04 ± 0.3 cm3 |
| parachor : | 474.8 ± 4.0 cm3 |
| index of refraction : | 1.425 ± 0.02 |
| surface tension : | 27.5 ± 3.0 dyne/cm |
| density : | 0.821 ± 0.06 g/cm3 |
| polarizability : | 21.02 ± 0.5 10-24cm3 |
| xlogp : | 4.40 |
| molecular weight : | 170.2917800 |
| formula : | C11 H22 O |
| BioActivity Analysis : | 70425 |
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| fda reg : | 172.515 |
h. number : | 2914.10 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description : at 100.00 %. | waxy fruity ketonic fatty pineapple |
| taste description³ : | at 30.00 ppm. Waxy, fruity with creamy cheese like notes |
| substantivity : | 128 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.82200 - 0.82600 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.840 to 6.873
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| refractive index : | 1.42800 - 1.43300 @ 20.00 °C.
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| melting point : | 11.00 - 13.00 °C. @ 760.00 mm Hg
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| boiling point : | 231.00 - 232.00 °C. @ 760.00 mm Hg
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| boiling point : | 140.00 - 141.00 °C. @ 50.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| logp : | 4.09 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Mouse 950.00 mg/kg (Schafer & Bowles, 1985)
Oral-Mouse [sex: M] 5460.00 mg/kg (Tanii et al., 1986)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg FCTXAV 13,869,1975
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| Maximised Survey-derived Daily Intakes (MSDI) : | 330.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 192.00 °F. TCC ( 88.89 °C. )
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| recommendation for 2-undecanone usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for 2-undecanone usage levels up to : |
| | 30.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 203-937-5 |
| rtecs : | YQ2820000 for 112-12-9 |
| chemidplus : | 000112129 |
| epa-srs : | 112-12-9 |
| dtp/nci : | 4028 |
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| other : | |
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| references : | |
| jecfa number : | 296 |
| fl. number : | 07.016 |
| pubchem : | 151291 |
| NIST Chemistry WebBook : | 4025940407 |
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| reference : | Mosciano, Gerard P&F 16, No. 3, 79, (1991)³ |