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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 2-(5-methylfuran-2-yl)butanal |
| InChI : | InChI=1/C9H12O2/c1-3-8(6-10)9-5-4-7(2)11-9/h4-6,8H,3H2,1-2H3 |
| InChIKey : | PFLUFBMKOXFWSD-UHFFFAOYAH |
| SMILES : | CCC(C=O)C1=CC=C(O1)C |
| (EINECS) number : | 250-771-4 |
| cas number : | 31704-80-0 |
| fema number : | 3307 |
| coe number : | 10355 |
| jecfa number : | 1500 |
| fl. number : | 13.058 |
| molar refractivity : | 42.38 ± 0.3 cm3 |
| parachor : | 362.6 ± 4.0 cm3 |
| index of refraction : | 1.468 ± 0.02 |
| surface tension : | 32.0 ± 3.0 dyne/cm |
| density : | 0.998 ± 0.06 g/cm3 |
| polarizability : | 16.80 ± 0.5 10-24cm3 |
| xlogp : | 1.60 |
| molecular weight : | 152.1903800 |
| formula : | C9 H12 O2 |
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| IUPAC name : | (3R)-3-(5-methylfuran-2-yl)butanal |
| InChI : | InChI=1/C9H12O2/c1-7(5-6-10)9-4-3-8(2)11-9/h3-4,6-7H,5H2,1-2H3/t7-/m1/s1 |
| InChIKey : | DFSVNSCDOZSUCT-SSDOTTSWBW |
| SMILES : | CC1=CC=C(O1)[C@H](C)CC=O |
| cas number : | 31704-80-0 |
| molar refractivity : | 42.38 ± 0.3 cm3 |
| parachor : | 362.6 ± 4.0 cm3 |
| index of refraction : | 1.468 ± 0.02 |
| surface tension : | 32.0 ± 3.0 dyne/cm |
| density : | 0.998 ± 0.06 g/cm3 |
| polarizability : | 16.80 ± 0.5 10-24cm3 |
| xlogp : | 1.60 |
| molecular weight : | 152.1903800 |
| formula : | C9 H12 O2 |
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| IUPAC name : | (3S)-3-(5-methylfuran-2-yl)butanal |
| InChI : | InChI=1/C9H12O2/c1-7(5-6-10)9-4-3-8(2)11-9/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1 |
| InChIKey : | DFSVNSCDOZSUCT-ZETCQYMHBY |
| SMILES : | CC1=CC=C(O1)[C@@H](C)CC=O |
| cas number : | 31704-80-0 |
| molar refractivity : | 42.38 ± 0.3 cm3 |
| parachor : | 362.6 ± 4.0 cm3 |
| index of refraction : | 1.468 ± 0.02 |
| surface tension : | 32.0 ± 3.0 dyne/cm |
| density : | 0.998 ± 0.06 g/cm3 |
| polarizability : | 16.80 ± 0.5 10-24cm3 |
| xlogp : | 1.60 |
| molecular weight : | 152.1903800 |
| formula : | C9 H12 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | green |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | green vegetable fruity fatty |
| taste description³ : | at 10.00 ppm.
Green,fruity with fatty nuances |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.00600 - 1.01200 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.371 to 8.421
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| refractive index : | 1.57500 - 1.58100 @ 20.00 °C.
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| boiling point : | 93.00 - 94.00 °C. @ 14.00 mm Hg
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| boiling point : | 88.00 - 91.00 °C. @ 12.00 mm Hg
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| acid value : | 3.00 max. KOH/g
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| logp : | 2.28 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 136.00 °F. TCC ( 57.78 °C. )
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| recommendation for 3-(5-methyl-2-furyl) butanal usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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| recommendation for 3-(5-methyl-2-furyl) butanal usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 250-771-4 |
| chemidplus : | 031704800 |
| epa-srs : | 31704-80-0 |
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| chemidplus : | 31704-80-0 |
| epa-srs : | 31704-80-0 |
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| chemidplus : | 558475 |
| epa-srs : | 31704-80-0 |
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| other : | |
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| references : | |
| jecfa number : | 1500 |
| fl. number : | 13.058 |
| pubchem : | 198296 |
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| pubchem : | 43615743 |
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| pubchem : | 43765165 |
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| reference : | Mosciano, Gerard P&F 16, No. 3, 79, (1991)³ |