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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3-methyl-4-phenylbut-3-en-2-one |
| InChI : | InChI=1/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3 |
| InChIKey : | BQJFBHBDOAIIGS-UHFFFAOYAS |
| SMILES : | CC(=CC1=CC=CC=C1)C(=O)C |
| (EINECS) number : | 217-599-1 |
| cas number : | 1901-26-4 |
| beilstein number : | 0774487 |
| fema number : | 2734 |
| coe number : | 161 |
| jecfa number : | 821 |
| fl. number : | 07.027 |
| molar refractivity : | 51.28 ± 0.3 cm3 |
| parachor : | 391.0 ± 4.0 cm3 |
| index of refraction : | 1.552 ± 0.02 |
| surface tension : | 35.3 ± 3.0 dyne/cm |
| density : | 0.999 ± 0.06 g/cm3 |
| polarizability : | 20.32 ± 0.5 10-24cm3 |
| xlogp : | 2.30 |
| molecular weight : | 160.2123800 |
| formula : | C11 H12 O |
| BioActivity Analysis : | 440740 |
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| IUPAC name : | (E)-3-methyl-4-phenylbut-3-en-2-one |
| InChI : | InChI=1/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8+ |
| InChIKey : | BQJFBHBDOAIIGS-CMDGGOBGBX |
| SMILES : | C/C(=C\C1=CC=CC=C1)/C(=O)C |
| cas number : | 1901-26-4 |
| molar refractivity : | 51.28 ± 0.3 cm3 |
| parachor : | 391.0 ± 4.0 cm3 |
| index of refraction : | 1.552 ± 0.02 |
| surface tension : | 35.3 ± 3.0 dyne/cm |
| density : | 0.999 ± 0.06 g/cm3 |
| polarizability : | 20.32 ± 0.5 10-24cm3 |
| xlogp : | 2.30 |
| molecular weight : | 160.2123800 |
| formula : | C11 H12 O |
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| IUPAC name : | (Z)-3-methyl-4-phenylbut-3-en-2-one |
| InChI : | InChI=1/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8- |
| InChIKey : | BQJFBHBDOAIIGS-HJWRWDBZBR |
| SMILES : | C/C(=C/C1=CC=CC=C1)/C(=O)C |
| cas number : | 1901-26-4 |
| molar refractivity : | 51.28 ± 0.3 cm3 |
| parachor : | 391.0 ± 4.0 cm3 |
| index of refraction : | 1.552 ± 0.02 |
| surface tension : | 35.3 ± 3.0 dyne/cm |
| density : | 0.999 ± 0.06 g/cm3 |
| polarizability : | 20.32 ± 0.5 10-24cm3 |
| xlogp : | 2.30 |
| molecular weight : | 160.2123800 |
| formula : | C11 H12 O |
| BioActivity Analysis : | 100161 |
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| fda reg : | 172.515 |
h. number : | unspecified |
| organoleptics : | |
| odor type : | camphoreous |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity berry camphor |
| properties : | |
| appearence : | colorless to pale yellow crystals |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.00720 @ 40.20 °C.
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| refractive index : | 1.57200 @ 40.20 °C.
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| melting point : | 38.00 - 40.00 °C. @ 760.00 mm Hg
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| boiling point : | 124.00 - 125.00 °C. @ 10.00 mm Hg
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| logp : | 2.73 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 4100.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 205.00 °F. TCC ( 96.11 °C. )
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| recommendation for 3-benzylidene-2-butanone usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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| recommendation for 3-benzylidene-2-butanone usage levels up to : |
| | 2.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 217-599-1 |
| chemidplus : | 001901264 |
| epa-srs : | 1901-26-4 |
| dtp/nci : | 167115 |
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| chemidplus : | 1901-26-4 |
| epa-srs : | 1901-26-4 |
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| chemidplus : | 1901-26-4 |
| epa-srs : | 1901-26-4 |
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| other : | |
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| references : | |
| pubchem : | 197548 |
| NIST Chemistry WebBook : | 3957659827 |
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| pubchem : | 39390848 |
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| pubchem : | 1901-26-4 |
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