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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 2,4,5-trimethyl-2,5-dihydro-1,3-oxazole |
| InChI : | InChI=1/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3 |
| InChIKey : | YFSGRMONVCFYTC-UHFFFAOYAD |
| SMILES : | CC1C(=NC(O1)C)C |
| cas number : | 22694-96-8 |
| beilstein number : | 1098973 |
| fema number : | 3525 |
| coe number : | 2319 |
| fl. number : | 13.039 |
| molar refractivity : | 31.53 ± 0.5 cm3 |
| parachor : | 247.5 ± 8.0 cm3 |
| index of refraction : | 1.491 ± 0.05 |
| surface tension : | 26.7 ± 7.0 dyne/cm |
| density : | 1.03 ± 0.1 g/cm3 |
| polarizability : | 12.49 ± 0.5 10-24cm3 |
| xlogp : | 0.90 |
| molecular weight : | 113.1576400 |
| formula : | C6 H11 N O |
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| IUPAC name : | (2R,5R)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium |
| InChI : | InChI=1/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3/p+1/t5-,6-/m1/s1/fC6H12NO/h7H/q+1 |
| InChIKey : | YFSGRMONVCFYTC-WROALIMLBV |
| SMILES : | C[C@@H]1C(=[NH+][C@H](O1)C)C |
| cas number : | 22694-96-8 |
| molar refractivity : | 31.53 ± 0.5 cm3 |
| parachor : | 247.5 ± 8.0 cm3 |
| index of refraction : | 1.491 ± 0.05 |
| surface tension : | 26.7 ± 7.0 dyne/cm |
| density : | 1.03 ± 0.1 g/cm3 |
| polarizability : | 12.49 ± 0.5 10-24cm3 |
| xlogp : | 0.90 |
| molecular weight : | 113.1576400 |
| formula : | C6 H11 N O |
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| IUPAC name : | (2R,5S)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium |
| InChI : | InChI=1/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3/p+1/t5-,6+/m0/s1/fC6H12NO/h7H/q+1 |
| InChIKey : | YFSGRMONVCFYTC-BDWPQBNJBO |
| SMILES : | C[C@H]1C(=[NH+][C@H](O1)C)C |
| cas number : | 22694-96-8 |
| molar refractivity : | 31.53 ± 0.5 cm3 |
| parachor : | 247.5 ± 8.0 cm3 |
| index of refraction : | 1.491 ± 0.05 |
| surface tension : | 26.7 ± 7.0 dyne/cm |
| density : | 1.03 ± 0.1 g/cm3 |
| polarizability : | 12.49 ± 0.5 10-24cm3 |
| xlogp : | 0.90 |
| molecular weight : | 113.1576400 |
| formula : | C6 H11 N O |
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| IUPAC name : | (2S,5R)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium |
| InChI : | InChI=1/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3/p+1/t5-,6+/m1/s1/fC6H12NO/h7H/q+1 |
| InChIKey : | YFSGRMONVCFYTC-BKOYIDEABI |
| SMILES : | C[C@@H]1C(=[NH+][C@@H](O1)C)C |
| cas number : | 22694-96-8 |
| molar refractivity : | 31.53 ± 0.5 cm3 |
| parachor : | 247.5 ± 8.0 cm3 |
| index of refraction : | 1.491 ± 0.05 |
| surface tension : | 26.7 ± 7.0 dyne/cm |
| density : | 1.03 ± 0.1 g/cm3 |
| polarizability : | 12.49 ± 0.5 10-24cm3 |
| xlogp : | 0.90 |
| molecular weight : | 113.1576400 |
| formula : | C6 H11 N O |
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| IUPAC name : | (2S,5S)-2,4,5-trimethyl-2,5-dihydro-1,3-oxazol-3-ium |
| InChI : | InChI=1/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3/p+1/t5-,6-/m0/s1/fC6H12NO/h7H/q+1 |
| InChIKey : | YFSGRMONVCFYTC-WHPAWDLABY |
| SMILES : | C[C@H]1C(=[NH+][C@@H](O1)C)C |
| cas number : | 22694-96-8 |
| molar refractivity : | 31.53 ± 0.5 cm3 |
| parachor : | 247.5 ± 8.0 cm3 |
| index of refraction : | 1.491 ± 0.05 |
| surface tension : | 26.7 ± 7.0 dyne/cm |
| density : | 1.03 ± 0.1 g/cm3 |
| polarizability : | 12.49 ± 0.5 10-24cm3 |
| xlogp : | 0.90 |
| molecular weight : | 113.1576400 |
| formula : | C6 H11 N O |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | musty |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in dipropylene glycol. | musty green wood nutty caramel |
| taste description³ : | at 10.00 ppm.
Musty, nutty, cocoa, brown, vegetative and bready with a slight bitter nuance |
| properties : | |
| appearence : | yellow orange clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91100 - 0.93200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.580 to 7.755
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| refractive index : | 1.41400 - 1.43500 @ 20.00 °C.
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| boiling point : | 125.00 - 127.00 °C. @ 760.00 mm Hg
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| logp : | 1.72 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Mouse 4840.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 87.00 °F. TCC ( 30.56 °C. )
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| recommendation for peanut oxazole usage levels up to : |
| | 0.0500 % in the fragrance concentrate.
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| recommendation for peanut oxazole usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| chemidplus : | 022694968 |
| epa-srs : | 22694-96-8 |
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| chemidplus : | 22694-96-8 |
| epa-srs : | 22694-96-8 |
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| chemidplus : | 22694-96-8 |
| epa-srs : | 22694-96-8 |
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| chemidplus : | 22694-96-8 |
| epa-srs : | 22694-96-8 |
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| chemidplus : | 22694-96-8 |
| epa-srs : | 22694-96-8 |
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| other : | |
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| references : | |
| pubchem : | 173577 |
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| pubchem : | 43600702 |
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| pubchem : | 43600700 |
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| pubchem : | 43600706 |
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| pubchem : | 43600704 |
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| reference : | Mosciano, Gerard P&F 21, No. 6, 49, (1996)³ |