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| IUPAC name : | 1-(4-methoxyphenyl)propan-2-one |
| InChI : | InChI=1/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3 |
| InChIKey : | WFWKNGZODAOLEO-UHFFFAOYAM |
| SMILES : | CC(=O)CC1=CC=C(C=C1)OC |
| (EINECS) number : | 204-578-7 |
| cas number : | 122-84-9 |
| beilstein number : | 2044332 |
| fema number : | 2674 |
| coe number : | 11836 |
| jecfa number : | 813 |
| fl. number : | 07.087 |
| molar refractivity : | 47.14 ± 0.3 cm3 |
| parachor : | 385.3 ± 4.0 cm3 |
| index of refraction : | 1.501 ± 0.02 |
| surface tension : | 33.7 ± 3.0 dyne/cm |
| density : | 1.027 ± 0.06 g/cm3 |
| polarizability : | 18.68 ± 0.5 10-24cm3 |
| xlogp : | 1.60 |
| molecular weight : | 164.2010800 |
| formula : | C10 H12 O2 |
| BioActivity Analysis : | 84980 |
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| fda reg : | 172.515 |
h. number : | unspecified |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | sweet fruity spicy anisic balsam |
| taste description³ : | at 15.00 ppm. Sweet spicy, with green anisic, minty nuances |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.05800 - 1.07200 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.804 to 8.920
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| refractive index : | 1.51600 - 1.52600 @ 20.00 °C.
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| boiling point : | 145.00 °C. @ 25.00 mm Hg
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| boiling point : | 264.00 - 265.00 °C. @ 760.00 mm Hg
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| logp : | 1.35 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 3330.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | 215.00 °F. TCC ( 101.67 °C. )
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| recommendation for para-anisyl methyl ketone usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for para-anisyl methyl ketone usage levels up to : |
| | 15.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 204-578-7 |
| rtecs : | UC2990000 for 122-84-9 |
| chemidplus : | 000122849 |
| epa-srs : | 122-84-9 |
| dtp/nci : | 22983 |
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| other : | |
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| references : | |
| pubchem : | 173266 |
| NIST Chemistry WebBook : | 1338709283 |
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| reference : | Mosciano, Gerard P&F 15, No. 1, 19, (1990)³ |