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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3-(phenylmethyl)heptan-4-one |
| InChI : | InChI=1/C14H20O/c1-3-8-14(15)13(4-2)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3 |
| InChIKey : | CGTCWTIGDNJZOX-UHFFFAOYAQ |
| SMILES : | CCCC(=O)C(CC)CC1=CC=CC=C1 |
| (EINECS) number : | 231-317-4 |
| cas number : | 7492-37-7 |
| beilstein number : | 2262221 |
| fema number : | 2146 |
| coe number : | 2140 |
| jecfa number : | 830 |
| fl. number : | 07.070 |
| molar refractivity : | 63.58 ± 0.3 cm3 |
| parachor : | 525.0 ± 4.0 cm3 |
| index of refraction : | 1.493 ± 0.02 |
| surface tension : | 33.1 ± 3.0 dyne/cm |
| density : | 0.933 ± 0.06 g/cm3 |
| polarizability : | 25.20 ± 0.5 10-24cm3 |
| xlogp : | 3.60 |
| molecular weight : | 204.3080000 |
| formula : | C14 H20 O |
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| fda reg : | 172.515 |
h. number : | unspecified |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity berry woody herbal mint plum |
| taste description³ : | at 50.00 ppm.
Fruity, waxy, slight floral |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| logp : | 3.61 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 4400.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | not determined
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| recommendation for 3-benzyl-4-heptanone usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for 3-benzyl-4-heptanone usage levels up to : |
| | 50.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 231-317-4 |
| chemidplus : | 007492377 |
| epa-srs : | 7492-37-7 |
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| other : | |
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| references : | |
| pubchem : | 204165 |
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| reference : | Mosciano, Gerard P&F 17, No. 4, 33, (1992)³ |