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| IUPAC name : | 4-furan-2-ylbut-3-en-2-one |
| InChI : | InChI=1/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3 |
| InChIKey : | GBKGJMYPQZODMI-UHFFFAOYAW |
| SMILES : | CC(=O)C=CC1=CC=CO1 |
| (EINECS) number : | 210-774-3 |
| cas number : | 623-15-4 |
| fema number : | 2495 |
| coe number : | 11838 |
| jecfa number : | 1511 |
| fl. number : | 13.044 |
| molar refractivity : | 39.10 ± 0.3 cm3 |
| parachor : | 309.0 ± 4.0 cm3 |
| index of refraction : | 1.528 ± 0.02 |
| surface tension : | 35.2 ± 3.0 dyne/cm |
| density : | 1.073 ± 0.06 g/cm3 |
| polarizability : | 15.50 ± 0.5 10-24cm3 |
| xlogp : | 0.80 |
| molecular weight : | 136.1479200 |
| formula : | C8 H8 O2 |
| BioActivity Analysis : | 68759 |
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| IUPAC name : | (E)-4-furan-2-ylbut-3-en-2-one |
| InChI : | InChI=1/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4+ |
| InChIKey : | GBKGJMYPQZODMI-SNAWJCMRBY |
| SMILES : | CC(=O)\C=C\C1=CC=CO1 |
| cas number : | 623-15-4 |
| molar refractivity : | 39.10 ± 0.3 cm3 |
| parachor : | 309.0 ± 4.0 cm3 |
| index of refraction : | 1.528 ± 0.02 |
| surface tension : | 35.2 ± 3.0 dyne/cm |
| density : | 1.073 ± 0.06 g/cm3 |
| polarizability : | 15.50 ± 0.5 10-24cm3 |
| xlogp : | 0.80 |
| molecular weight : | 136.1479200 |
| formula : | C8 H8 O2 |
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| IUPAC name : | (Z)-4-furan-2-ylbut-3-en-2-one |
| InChI : | InChI=1/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4- |
| InChIKey : | GBKGJMYPQZODMI-PLNGDYQABR |
| SMILES : | CC(=O)\C=C/C1=CC=CO1 |
| cas number : | 108811-61-6 |
| molar refractivity : | 39.10 ± 0.3 cm3 |
| parachor : | 309.0 ± 4.0 cm3 |
| index of refraction : | 1.528 ± 0.02 |
| surface tension : | 35.2 ± 3.0 dyne/cm |
| density : | 1.073 ± 0.06 g/cm3 |
| polarizability : | 15.50 ± 0.5 10-24cm3 |
| xlogp : | 0.80 |
| molecular weight : | 136.1479200 |
| formula : | C8 H8 O2 |
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| fda reg : | unspecified |
h. number : | 2932.19.0000 |
| organoleptics : | |
| odor type : | spicy |
| odor strength : | medium ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in propylene glycol. | sweet spicy warm balsam cinnamon vanilla |
| taste description³ : | at 20.00 ppm.
Sweet, nutty, powdery, vanilla and coumarin creamy |
| properties : | |
| appearence : | orange solid crystals |
| assay : | 97.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| melting point : | 37.00 - 40.00 °C. @ 760.00 mm Hg
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| boiling point : | 123.00 °C. @ 20.00 mm Hg
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| boiling point : | 97.00 °C. @ 2.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 1.35 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 50.00 mg/kg
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| flash point ( Deg. F. ) : | 220.00 °F. TCC ( 104.44 °C. )
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| recommendation for furfural acetone usage levels up to : |
| | PROHIBITED : Should not be used as a fragrance ingredient.
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| recommendation for furfural acetone usage levels up to : |
| | 20.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 210-774-3 |
| rtecs : | EM9939000 for 623-15-4 |
| chemidplus : | 623-15-4 |
| epa-srs : | 623-15-4 |
| dtp/nci : | 2065 |
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| chemidplus : | 000623154 |
| epa-srs : | 623-15-4 |
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| chemidplus : | 108811-61-6 |
| epa-srs : | 108811-61-6 |
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| ifra : | ifra - ( Found under : Other materials ) |
| other : | |
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| references : | |
| pubchem : | 501444 |
| NIST Chemistry WebBook : | 3290576858 |
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| pubchem : | 155488 |
| NIST Chemistry WebBook : | 2713901776 |
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| pubchem : | 32249290 |
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| reference : | Mosciano, Gerard P&F 19, No. 6, 53, (1994)³ |