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| IUPAC name : | 2-methylbut-2-enal |
| InChI : | InChI=1/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3 |
| InChIKey : | ACWQBUSCFPJUPN-UHFFFAOYAX |
| SMILES : | CC=C(C)C=O |
| cas number : | 1115-11-3 |
| fema number : | 3407 |
| coe number : | 2281 |
| fl. number : | 05.095 |
| molar refractivity : | 25.30 ± 0.3 cm3 |
| parachor : | 223.3 ± 4.0 cm3 |
| index of refraction : | 1.411 ± 0.02 |
| surface tension : | 23.1 ± 3.0 dyne/cm |
| density : | 0.826 ± 0.06 g/cm3 |
| polarizability : | 10.02 ± 0.5 10-24cm3 |
| xlogp : | 1.00 |
| molecular weight : | 84.1164200 |
| formula : | C5 H8 O |
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| IUPAC name : | (E)-2-methylbut-2-enal |
| InChI : | InChI=1/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+ |
| InChIKey : | ACWQBUSCFPJUPN-HWKANZROBA |
| SMILES : | C\C=C(/C)\C=O |
| (EINECS) number : | 207-833-0 |
| cas number : | 497-03-0 |
| fema number : | 3407 |
| molar refractivity : | 25.30 ± 0.3 cm3 |
| parachor : | 223.3 ± 4.0 cm3 |
| index of refraction : | 1.411 ± 0.02 |
| surface tension : | 23.1 ± 3.0 dyne/cm |
| density : | 0.826 ± 0.06 g/cm3 |
| polarizability : | 10.02 ± 0.5 10-24cm3 |
| xlogp : | 1.00 |
| molecular weight : | 84.1164200 |
| formula : | C5 H8 O |
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| IUPAC name : | (Z)-2-methylbut-2-enal |
| InChI : | InChI=1/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3- |
| InChIKey : | ACWQBUSCFPJUPN-HYXAFXHYBX |
| SMILES : | C\C=C(\C)/C=O |
| cas number : | 6038-09-1 |
| molar refractivity : | 25.30 ± 0.3 cm3 |
| parachor : | 223.3 ± 4.0 cm3 |
| index of refraction : | 1.411 ± 0.02 |
| surface tension : | 23.1 ± 3.0 dyne/cm |
| density : | 0.826 ± 0.06 g/cm3 |
| polarizability : | 10.02 ± 0.5 10-24cm3 |
| xlogp : | 1.00 |
| molecular weight : | 84.1164200 |
| formula : | C5 H8 O |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | green |
| odor strength : | high ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | pungent green ether nutty anisic fruity |
| taste description³ : | at 50.00 ppm.
Fresh, fruity, green, pulpy and almond nutty |
| substantivity : | 16 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87100 @ 25.00 °C.
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| refractive index : | 1.44800 @ 20.00 °C.
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| boiling point : | 116.00 - 118.00 °C. @ 752.00 mm Hg
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| boiling point : | 63.00 - 65.00 °C. @ 119.00 mm Hg
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| logp : | 1.07 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 65.00 °F. TCC ( 18.33 °C. )
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| recommendation for tiglic aldehyde usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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| recommendation for tiglic aldehyde usage levels up to : |
| | 50.0000 ppm in the flavor.
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| safety links : | |
| chemidplus : | 001115113 |
| epa-srs : | 1115-11-3 |
| dtp/nci : | 2179 |
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| (EINECS) number : | 207-833-0 |
| chemidplus : | 000497030 |
| epa-srs : | 497-03-0 |
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| chemidplus : | 006038091 |
| epa-srs : | 6038-09-1 |
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| other : | |
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| references : | |
| fl. number : | 05.095 |
| pubchem : | 157501 |
| NIST Chemistry WebBook : | 2391482552 |
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| pubchem : | 153609 |
| NIST Chemistry WebBook : | 1850923030 |
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| pubchem : | 715085 |
| NIST Chemistry WebBook : | 1532953924 |
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| reference : | Mosciano, Gerard P&F 14, No. 6, 47, (1989)³ |