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| IUPAC name : | pent-3-en-2-one |
| InChI : | InChI=1/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3 |
| InChIKey : | LABTWGUMFABVFG-UHFFFAOYAM |
| SMILES : | CC=CC(=O)C |
| (EINECS) number : | 210-888-3 |
| cas number : | 625-33-2 |
| fema number : | 3417 |
| coe number : | 666 |
| jecfa number : | 1124 |
| fl. number : | 07.044 |
| 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)-pent-3-en-2-one |
| InChI : | InChI=1/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+ |
| InChIKey : | LABTWGUMFABVFG-ONEGZZNKBT |
| SMILES : | C\C=C\C(=O)C |
| cas number : | 625-33-2 |
| beilstein number : | 1633505 |
| 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)-pent-3-en-2-one |
| InChI : | InChI=1/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3- |
| InChIKey : | LABTWGUMFABVFG-ARJAWSKDBE |
| SMILES : | C\C=C/C(=O)C |
| cas number : | 625-33-2 |
| 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 : | 2914.10 |
| organoleptics : | |
| odor type : | solvent |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in dipropylene glycol. | fruity acetone phenolic fishy |
| taste description³ : | at 10.00 ppm.
Musty, stale water and phenolic with a fishy and shell fish nuance |
| properties : | |
| appearence : | colorless to yellow clear liquid |
| assay : | 70.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86200 @ 25.00 °C.
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| refractive index : | 1.43700 @ 20.00 °C.
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| boiling point : | 121.00 - 124.00 °C. @ 760.00 mm Hg
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| logp : | 0.52 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 3200.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 500.00 ul/kg
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| flash point ( Deg. F. ) : | 70.00 °F. TCC ( 21.11 °C. )
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| recommendation for 3-penten-2-one usage levels up to : |
| | 0.0500 % in the fragrance concentrate.
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| recommendation for 3-penten-2-one usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 210-888-3 |
| rtecs : | SB3850000 for 625-33-2 |
| chemidplus : | 000625332 |
| epa-srs : | 625-33-2 |
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| chemidplus : | 003102338 |
| epa-srs : | 625-33-2 |
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| chemidplus : | 625-33-2 |
| epa-srs : | 625-33-2 |
| dtp/nci : | 61468 |
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| other : | |
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| references : | |
| pubchem : | 155569 |
| NIST Chemistry WebBook : | 526292721 |
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| pubchem : | 161403 |
| NIST Chemistry WebBook : | 2279468660 |
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| pubchem : | 10518082 |
| NIST Chemistry WebBook : | 2613580623 |
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| reference : | Mosciano, Gerard P&F 21, No. 5, 49, (1996)³ |