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| IUPAC name : | 1-naphthalen-1-ylethanone |
| InChI : | InChI=1/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3 |
| InChIKey : | QQLIGMASAVJVON-UHFFFAOYAK |
| SMILES : | CC(=O)C1=CC=CC2=CC=CC=C21 |
| (EINECS) number : | 213-384-1 |
| cas number : | 941-98-0 |
| beilstein number : | 1100618 |
| fl. number : | 07.214 |
| molar refractivity : | 54.12 ± 0.3 cm3 |
| parachor : | 396.2 ± 4.0 cm3 |
| index of refraction : | 1.615 ± 0.02 |
| surface tension : | 42.6 ± 3.0 dyne/cm |
| density : | 1.097 ± 0.06 g/cm3 |
| polarizability : | 21.45 ± 0.5 10-24cm3 |
| xlogp : | 3.10 |
| molecular weight : | 170.2072000 |
| formula : | C12 H10 O |
| BioActivity Analysis : | 73491 |
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| fda reg : | unspecified |
h. number : | 2914.30.0000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | orangeblossom |
| substantivity : | 400 Hour(s) |
| properties : | |
| appearence : | yellow brown clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.11000 - 1.11600 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.236 to 9.286
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| refractive index : | 1.62000 - 1.63000 @ 20.00 °C.
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| melting point : | 33.00 - 34.00 °C. @ 760.00 mm Hg
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| boiling point : | 297.00 °C. @ 760.00 mm Hg
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| logp : | 2.85 |
| safety : | |
| most important hazard(s) : |
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| Oral Toxicity(LD50) : |
Oral-Rat 1560.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | 265.00 °F. TCC ( 129.44 °C. )
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| recommendation for alpha-methyl naphthyl ketone usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for alpha-methyl naphthyl ketone usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 213-384-1 |
| rtecs : | AL2982800 for 941-98-0 |
| chemidplus : | 000941980 |
| epa-srs : | 941-98-0 |
| dtp/nci : | 7659 |
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| other : | |
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| references : | |
| pubchem : | 157003 |
| NIST Chemistry WebBook : | 1821079740 |
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