식별자 및 물리적 특성
| CAS No. | 1335-12-2 |
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| 분자식 | C9H12O |
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| 평균 분자량 | 136.19 g/mol |
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| 단동위원소 질량 | 136.088815 g/mol |
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| SMILES | CCC(O)c1ccccc1 |
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| InChIKey | DYUQAZSOFZSPHD-UHFFFAOYSA-N |
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| PubChem CID | 7147 |
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| ChEMBL | CHEMBL1397202 |
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| ChEBI | CHEBI:31995 |
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| EC No. | 202-256-0 |
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| DTXSID | DTXSID2044474 |
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| 현지명 | 페닐프로판올 |
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화학 및 물리적 성질
| XLogP | 1.9 |
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| 극성 표면적 | 20.2 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 1 |
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| 회전 가능 결합 수 | 2 |
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| 무거운 원자 수 | 10 |
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| 형식 전하 | 0 |
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| 복잡도 | 84 |
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| 밀도 | 0.993-1.000 |
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| 용해도 | 0.6 g/L @ 20 °C (exp)insoluble in watersoluble in organic solvents, oilsmiscible at room temperature (in ethanol) |
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| 끓는 점 | 103.00 °C. @ 14.00 mm Hg219 °C |
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| 굴절률 | 1.517-1.522 |
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| Physical Description | Oily liquid with a mild ester-like odor[Merck Index] Clear colorless liquid[Sigma-Aldrich MSDS]colourless oily liquid with a sweet floral balsamic odour |
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| Kovats Retention Index | 1908 |
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| 화장품 원료 기능 | 향수향기용제 |
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| EPA | 1-Propanol, phenyl- (1335-12-2) |
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안전 및 규제
| GHS 분류 | WarningH302 (25.2%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (76.1%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 314 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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 | Chemical: Benzenemethanol, .alpha.-ethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 19-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/118671-Phenyl-1-propanol: Does not have an individual approval but may be used under an appropriate group standard |
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| 유해성 요약 | Safe when used as a flavoring agent in food[JECFA] May cause irritationToxic by ingestion[Sigma-Aldrich MSDS] |
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| Hazard Classes and Categories | Acute Tox. 4 (25.2%)Skin Irrit. 2 (76.1%) |
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| TSCA 등재 상태 | TSCA listed |
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| 기존화학 물질 | KE-28421 |
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