식별자 및 물리적 특성
| CAS No. | 7419-61-6 |
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| 분자식 | C11H10 |
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| 평균 분자량 | 142.2 g/mol |
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| 단동위원소 질량 | 142.07825032 g/mol |
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| SMILES | Cc1ccc2ccccc2c1 |
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| InChIKey | QIMMUPPBPVKWKM-UHFFFAOYSA-N |
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| PubChem CID | 7055 |
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| ChEMBL | CHEMBL195895 |
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| ChEBI | CHEBI:50720 |
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| EC No. | 202-078-3 |
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| DTXSID | DTXSID4020878 |
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화학 및 물리적 성질
| XLogP | 3.9 |
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| 극성 표면적 | 0 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 0 |
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| 회전 가능 결합 수 | 0 |
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| 무거운 원자 수 | 11 |
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| 형식 전하 | 0 |
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| 복잡도 | 128 |
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| 물질 분류 | Other Classes -> NaphthalenesFlammable agents - 2nd degreeSemi-Volatile Organic Compound (SVOC) and(or) Waste-water effluent contaminant |
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| Polymers | Polycyclic aromatic hydrocarbon |
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| 화장품 | Cosmetics ingredient -> Fragrance |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| 향료 | Fragrance Ingredient (2-Methylnaphthalene) -> IFRA transparency List |
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| 농약 | Pesticide -> EPA IRIS |
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| LogP(분배 계수) | log Kow = 3.863.96 |
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| 밀도 | 1.0058 at 68 °F (NTP, 1992) - Denser than waterwill sink1.0058 at 20 °C/4 °CRelative density (water = 1): 1.001.0058 @ 20°C0.99 g/cm3 |
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| Color/Form | Monoclinic crystals from alcoholSolid or crystalline |
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| 용해도 | less than 1 mg/mL at 70 °F (NTP, 1992)In water, 24.6 mg/L at 25 °CMiscible with alcohol and etherSolubility in water, g/100ml at 25 °C: 0.003 |
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| 인화점 | 208 °F (NTP, 1992)98 °C (208.4 °F) Closed cup |
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| 끓는 점 | 466 to 468 °F at 760 mmHg (NTP, 1992)241.1 °C241 °C466-468 °F241.1 °C @760 [mm Hg] |
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| 녹는점 | 37-38 °C |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 3.2% (50 of 1564) of reports.WarningH302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1564 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 규제 정보 | Chemical: Naphthalene, 2-methyl-Hazard Traits - Environmental toxNeurotoxicityCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Naphthalene, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Naphthalene, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: 2-methylnaphthalene (EC: 202-078-3)2-Methylnaphthalene: Does not have an individual approval but may be used under an appropriate group standard |
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| 운송 라벨(DOT) | Class 9 |
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| 화재 위험 | This chemical is combustible. (NTP, 1992) |
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| 화재 가능성 | Combustible. |
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| 건강 유해성 | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes, mucous membranes and upper respiratory tract. It may also cause headaches, nausea, vomiting, diarrhea, anemia, jaundice, euphoria, dermatitis, visual disturbances, convulsions and comatose. |
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| 유해성 요약 | There are no studies of humans exposed to 1-methylnaphthalene or 2-methylnaphthalene. [ATSDR ToxFAQs] Minimal Risk Level (oral chronic) = 0.4 mg/kg/day (Resp.)[ATSDR] 1-Methylnaphthalene (1-MN) and 2-Methylnaphthalene (2-MN) are respiratory tract irritants. [ACGIH] See Naphthalene.The major hazards encountered in the use and handling of 2-methylnaphthalene stem from its toxicologic properties. Toxic by all routes (ie, ingestion, inhalation, and dermal contact), exposure to this crystaline substance may occur from its production or use as a chemical intermediate in organic syntheses, in insecticides, or as a dye carrier. Effects from exposure may include facial flushing, fever, headache, skin irritation, corneal damage, nausea, anorexia, hemoglobinuria, hepatocellular injury, convulsions, and coma. Before implementing land disposal of waste 2-methylnaphthalene, consult with environmental regulatory agencies for guidance. |
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