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| IUPAC name : | 1-methylnaphthalene |
| InChI : | InChI=1/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3 |
| InChIKey : | QPUYECUOLPXSFR-UHFFFAOYAD |
| SMILES : | CC1=CC=CC2=CC=CC=C12 |
| cas number : | 90-12-0 |
| (EINECS) number : | 201-966-8 |
| beilstein number : | 0506793 |
| fema number : | 3193 |
| coe number : | 11009 |
| jecfa number : | 1335 |
| fl. number : | 01.014 |
| molar refractivity : | 48.92 ± 0.3 cm3 |
| parachor : | 348.7 ± 4.0 cm3 |
| index of refraction : | 1.616 ± 0.02 |
| surface tension : | 38.7 ± 3.0 dyne/cm |
| density : | 1.016 ± 0.06 g/cm3 |
| polarizability : | 19.39 ± 0.5 10-24cm3 |
| XlogP : | 3.70 |
| molecular weight : | 142.1971000 |
| formula : | C11 H10 |
| BioActivity Analysis : | 70043 |
| NMR Predictor : | Predict |
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| export tariff code : | 2902.90.00.30 |
| fda reg : | unspecified |
Suppliers :
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| Penta : | 1-methylnaphthalene
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| Sigma-Aldrich-SAFC : | 1-Methylnaphthalene
≥90%, Kosher |
organoleptics :
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| odor type : | naphthyl |
| odor strength : | medium , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | naphthyl chemical medicinal camphor |
properties :
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| appearence : | pale yellow clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.02000 to 1.02500 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.487 to 8.529
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| refractive index : | 1.61200 to 1.61800 @ 20.00 °C.
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| melting point : | -22.00 °C. @ 760.00 mm Hg
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| boiling point : | 241.00 to 245.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.06700 mm/Hg @ 25.00 °C. |
| flash point : | 180.00 °F. TCC ( 82.22 °C. )
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| logP (o/w) : | 3.87 |
safety :
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| most important hazard(s) : | Xn N - Harmful, Dangerous for the environment. |
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R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 42/43 - May cause sensitization by inhalation and skin contact. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 01/02 - Keep locked up and out of the reach of children. S 07 - Keep container tightly closed. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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| Oral Toxicity(LD50) : |
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Oral-Rat 1840.00 mg/kg (Izmerov et al., 1982)
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 7500.00 mg/kg
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.77 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.06 (μg/capita/day) |
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| recommendation for 1-methyl naphthalene usage levels up to : |
| | not for fragrance use.
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| recommendation for 1-methyl naphthalene usage levels up to : |
| | 1.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| NIOSH International Chemical Safety Cards : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Carcinogenic Potency Database : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 3082 |
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| WGK Germany : | 2 |
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| | 1-methylnaphthalene
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| (EINECS) number : | 201-966-8 |
| RTECS : | 90-12-0 |
| chemidplus : | 000090120 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 90-12-0 |
| dtp/nci : | 3574 |
references :
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| | 1-methylnaphthalene
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| fl. number : | 01.014 |
| jecfa number : | 1335 |
| NIST Chemistry WebBook : | 3116376037 |
| pubchem : | 150020 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |