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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 1-(4-methoxyphenyl)-4-methylpent-1-en-3-one |
| InChI : | InChI=1/C13H16O2/c1-10(2)13(14)9-6-11-4-7-12(15-3)8-5-11/h4-10H,1-3H3 |
| InChIKey : | ZIXVMEYRFPMOAV-UHFFFAOYAQ |
| SMILES : | CC(C)C(=O)C=CC1=CC=C(C=C1)OC |
| cas number : | 103-13-9 |
| fema number : | 3760 |
| coe number : | 719 |
| jecfa number : | 829 |
| fl. number : | 07.049 |
| molar refractivity : | 62.70 ± 0.3 cm3 |
| parachor : | 488.7 ± 4.0 cm3 |
| index of refraction : | 1.534 ± 0.02 |
| surface tension : | 34.6 ± 3.0 dyne/cm |
| density : | 1.014 ± 0.06 g/cm3 |
| polarizability : | 24.85 ± 0.5 10-24cm3 |
| xlogp : | 2.60 |
| molecular weight : | 204.2649400 |
| formula : | C13 H16 O2 |
| BioActivity Analysis : | 505419 |
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| IUPAC name : | (E)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one |
| InChI : | InChI=1/C13H16O2/c1-10(2)13(14)9-6-11-4-7-12(15-3)8-5-11/h4-10H,1-3H3/b9-6+ |
| InChIKey : | ZIXVMEYRFPMOAV-RMKNXTFCBW |
| SMILES : | CC(C)C(=O)\C=C\C1=CC=C(C=C1)OC |
| cas number : | 103-13-9 |
| molar refractivity : | 62.70 ± 0.3 cm3 |
| parachor : | 488.7 ± 4.0 cm3 |
| index of refraction : | 1.534 ± 0.02 |
| surface tension : | 34.6 ± 3.0 dyne/cm |
| density : | 1.014 ± 0.06 g/cm3 |
| polarizability : | 24.85 ± 0.5 10-24cm3 |
| xlogp : | 2.60 |
| molecular weight : | 204.2649400 |
| formula : | C13 H16 O2 |
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| IUPAC name : | (Z)-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one |
| InChI : | InChI=1/C13H16O2/c1-10(2)13(14)9-6-11-4-7-12(15-3)8-5-11/h4-10H,1-3H3/b9-6- |
| InChIKey : | ZIXVMEYRFPMOAV-TWGQIWQCBE |
| SMILES : | CC(C)C(=O)\C=C/C1=CC=C(C=C1)OC |
| cas number : | 103-13-9 |
| molar refractivity : | 62.70 ± 0.3 cm3 |
| parachor : | 488.7 ± 4.0 cm3 |
| index of refraction : | 1.534 ± 0.02 |
| surface tension : | 34.6 ± 3.0 dyne/cm |
| density : | 1.014 ± 0.06 g/cm3 |
| polarizability : | 24.85 ± 0.5 10-24cm3 |
| xlogp : | 2.60 |
| molecular weight : | 204.2649400 |
| formula : | C13 H16 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | caramellic |
| odor strength : | low ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | caramel fruity buttery |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.01600 - 1.02600 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.454 to 8.537
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| refractive index : | 1.51000 - 1.51500 @ 20.00 °C.
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| melting point : | 28.00 °C. @ 760.00 mm Hg
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| boiling point : | 217.00 - 219.00 °C. @ 40.00 mm Hg
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| boiling point : | 201.00 °C. @ 10.00 mm Hg
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| logp : | 3.00 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 302.00 °F. TCC ( 150.00 °C. )
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| recommendation for alpha,alpha-dimethyl anisyl acetone usage levels up to : |
| | 0.2000 % in the fragrance concentrate.
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| safety links : | |
| chemidplus : | 103-13-9 |
| epa-srs : | 103-13-9 |
| dtp/nci : | 651746 |
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| chemidplus : | 103-13-9 |
| epa-srs : | 103-13-9 |
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| chemidplus : | 000103139 |
| epa-srs : | 103-13-9 |
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| other : | |
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| references : | |
| jecfa number : | 829 |
| fl. number : | 07.049 |
| pubchem : | 505419 |
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| pubchem : | 10426697 |
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| pubchem : | 197224 |
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