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| IUPAC name : | 3-hydroxy-4,5-dimethyl-5H-furan-2-one |
| InChI : | InChI=1/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3 |
| InChIKey : | UNYNVICDCJHOPO-UHFFFAOYAI |
| SMILES : | CC1C(=C(C(=O)O1)O)C |
| (EINECS) number : | 249-136-4 |
| cas number : | 28664-35-9 |
| % from : | 3.00% |
| fema number : | 3634 |
| coe number : | 11834 |
| jecfa number : | 243 |
| fl. number : | 10.030 |
| molar refractivity : | 30.78 ± 0.3 cm3 |
| parachor : | 261.3 ± 6.0 cm3 |
| index of refraction : | 1.512 ± 0.02 |
| surface tension : | 42.2 ± 3.0 dyne/cm |
| density : | 1.249 ± 0.06 g/cm3 |
| polarizability : | 12.20 ± 0.5 10-24cm3 |
| xlogp : | 1.00 |
| molecular weight : | 128.1259200 |
| formula : | C6 H8 O3 |
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| IUPAC name : | propane-1,2-diol |
| InChI : | InChI=1/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3 |
| InChIKey : | DNIAPMSPPWPWGF-UHFFFAOYAE |
| SMILES : | CC(CO)O |
| (EINECS) number : | 200-338-0 |
| cas number : | 57-55-6 |
| % from : | 97.00% |
| beilstein number : | 1340498 |
| fema number : | 2940 |
| coe number : | 2065 |
| jecfa number : | 925 |
| molar refractivity : | 18.97 ± 0.3 cm3 |
| parachor : | 182.3 ± 4.0 cm3 |
| index of refraction : | 1.430 ± 0.02 |
| surface tension : | 38.0 ± 3.0 dyne/cm |
| density : | 1.036 ± 0.06 g/cm3 |
| polarizability : | 7.52 ± 0.5 10-24cm3 |
| xlogp : | -0.70 |
| molecular weight : | 76.0944200 |
| formula : | C3 H8 O2 |
| BioActivity Analysis : | 113462 |
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| fda reg : | unspecified |
h. number : | 2905.32.0000 |
| organoleptics : | |
| odor type : | caramellic |
| odor strength : | very high ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in propylene glycol. | extremely sweet strong caramel maple burnt sugar coffee |
| substantivity : | > 400 hour(s) at 3.00 % in propylene glycol |
| properties : | |
| appearence : | colorless to pale yellow clear oily liquid |
| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.03200 - 1.05200 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.587 to 8.754
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| refractive index : | 1.42900 - 1.43900 @ 20.00 °C.
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| boiling point : | 184.00 °C. @ 760.00 mm Hg
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| logp : | 1.40 |
| 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. store under nitrogen. |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 1.80 (μg/capita/day) |
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for caramel furanone 3% in pg usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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| recommendation for caramel furanone 3% in pg usage levels up to : |
| | 30.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 249-136-4 |
| chemidplus : | 028664359 |
| epa-srs : | 28664-35-9 |
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| (EINECS) number : | 200-338-0 |
| rtecs : | TY2000000 for 57-55-6 |
| chemidplus : | 000057556 |
| epa-srs : | 57-55-6 |
| dtp/nci : | 69860 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 204979 |
| NIST Chemistry WebBook : | 41925784 |
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| pubchem : | 148831 |
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