식별자 및 물리적 특성
| CAS No. | 25619-60-7 |
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| 분자식 | C10H14 |
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| 평균 분자량 | 134.22 g/mol |
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| 단동위원소 질량 | 134.10955045 g/mol |
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| SMILES | Cc1ccc(C)c(C)c1C |
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| InChIKey | UOHMMEJUHBCKEE-UHFFFAOYSA-N |
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| PubChem CID | 10263 |
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| ChEMBL | CHEMBL1797278 |
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| ChEBI | CHEBI:38997 |
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| EC No. | 207-673-1 |
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| DTXSID | DTXSID4060072 |
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화학 및 물리적 성질
| XLogP | 4 |
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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 | 10 |
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| 형식 전하 | 0 |
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| 복잡도 | 92 |
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| Physical Description | Colorless liquid[Hawley] |
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| Kovats Retention Index | 1145.31175.21135.84113611331140.9114711391127.511551160116511681125.61148112011221144.21148.21149.91153.81159.81169.41150.41129.21132.714361430149314951505.11461.614561434.71462146414761435 |
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| 녹는점 | -6.2 °C |
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| 끓는 점 | 205 °C |
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| 밀도 | 0.9044 g/cm3(Temp: 18 °C) |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 3.1% (3 of 96) of reports.WarningH315 (96.9%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (96.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (96.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 96 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 96 reports by companies.There are 2 notifications provided by 93 of 96 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| 규제 정보 | Benzene, 1,2,3,4-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard |
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| 유해성 요약 | Tetramethylbenzenes are toxic by ingestion (relatively low) with LD50s (rat) of >5000 mg/kg. [Ullmann] A skin and eye irritant[MSDSonline] See Trimethyl benzene isomers. |
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| Hazard Classes and Categories | Skin Irrit. 2 (96.9%)Eye Irrit. 2 (96.9%)STOT SE 3 (96.9%) |
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| 유해 작용 | Neurotoxin - Acute solvent syndrome |
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| USGS Health-Based Screening Levels for Evaluating Water-Quality | 1,2,3,4-TetramethylbenzeneVolatile Organic Compound (VOC)Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP |
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