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| IUPAC name : | 1-cyclohexylbutane-1,3-dione |
| InChI : | InChI=1/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
| InChIKey : | CVBUKMMMRLOKQR-UHFFFAOYAW |
| SMILES : | CC(=O)CC(=O)C1=CC=CC=C1 |
| (EINECS) number : | 202-286-4 |
| cas number : | 93-91-4 |
| beilstein number : | 0742413 |
| coe number : | 11181 |
| fl. number : | 07.192 |
| molar refractivity : | 45.57 ± 0.3 cm3 |
| parachor : | 377.0 ± 4.0 cm3 |
| index of refraction : | 1.515 ± 0.02 |
| surface tension : | 38.7 ± 3.0 dyne/cm |
| density : | 1.073 ± 0.06 g/cm3 |
| polarizability : | 18.06 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 162.1852000 |
| formula : | C10 H10 O2 |
| BioActivity Analysis : | 70412 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 100.00 %. | acetophenone balsam woody dry opoponax vanilla |
| substantivity : | 44 Hour(s) |
| properties : | |
| appearence : | white crystals |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.09000 @ 20.00 °C.
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| melting point : | 58.00 - 60.00 °C. @ 760.00 mm Hg
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| boiling point : | 261.00 - 262.00 °C. @ 760.00 mm Hg
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| logp : | 0.61 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >500.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 206.00 °F. TCC ( 96.67 °C. )
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| recommendation for 1-benzoyl acetone usage levels up to : |
| | 0.7000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 202-286-4 |
| rtecs : | EK3540200 for 93-91-4 |
| chemidplus : | 000093914 |
| epa-srs : | 93-91-4 |
| dtp/nci : | 4015 |
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| other : | |
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| references : | |
| pubchem : | 150205 |
| NIST Chemistry WebBook : | 4180198736 |
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