識別子と物理属性
| CAS No. | 93-55-0 |
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| 分子式 | C9H10O |
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| 平均分子量 | 134.17 g/mol |
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| 単同位体質量 | 134.07316494 g/mol |
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| SMILES | CCC(=O)c1ccccc1 |
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| InChIKey | KRIOVPPHQSLHCZ-UHFFFAOYSA-N |
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| PubChem CID | 7148 |
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| ChEMBL | CHEMBL193446 |
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| ChEBI | CHEBI:425902 |
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| EC No. | 202-257-6 |
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| DTXSID | DTXSID2044470 |
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化学・物理的性質
| XLogP | 2.2 |
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| 極性表面積 | 17.1 |
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| 水素結合供与体数 | 0 |
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| 水素結合受容体数 | 1 |
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| 回転可能結合数 | 2 |
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| 重原子数 | 10 |
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| 形式電荷 | 0 |
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| 複雑度 | 112 |
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| 物質分類 | Other Classes -> Aromatic Ketones |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| LogP（分配係数） | Log Kow = 2.192.3 |
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| 臭い | STRONG, PERSISTENT, AGREEABLE, FLOWERY ODOR |
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| 食品添加物 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| 密度 | 1.0105 @ 20 °C/4 °C, LIQ1.004-1.0141.008 g/cm3(Temp: 16 °C) |
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| 香味料 | EU Flavoring substances |
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| Color/Form | WATER-WHITE TO LIGHT AMBER LIQLEAFLETS OR TABULAR CRYSTALS |
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| 溶解度 | MISCIBLE WITH METHANOL, ANHYD ETHANOL, ETHER, BENZENE, TOLUENEINSOL IN WATER, GLYCEROL, ETHYLENE & PROPYLENE GLYCOLSolubility in water = 0.2 wt% at 20 °C.2 mg/mL at 20 °Cinsoluble in watersoluble in organic solvents, oilsmiscible at room temperature (in ethanol) |
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| 沸点 | 218.0 °C @ 760 MM HG218 °C |
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| 融点 | 21 °CCONGEALING TEMP: 17.5-21 °C19 - 20 °C |
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| 蒸気密度 | 4.63 (AIR= 1) |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 70.8% (92 of 130) of all reports.WarningH319 (29.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 130 reports by companies from 5 notifications to the ECHA C&L Inventory.Danger |
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| 規制情報 | Chemical: 1-Propanone, 1-phenyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 15-12-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/110441-Propanone, 1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard |
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| 火災の可能性 | SLIGHT, WHEN EXPOSED TO HEAT OR FLAME. CAN REACT WITH OXIDIZING MATERIALS |
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| 有害性の概要 | Safe when used as a flavoring agent[JECFA] An eye and respiratory tract irritant[HSDB] May cause irritation[MSDSonline] See Acetophenone. |
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| Hazard Classes and Categories | Eye Irrit. 2A (29.2%)Flammable liquids - Category 4 |
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| Skin, Eye, and Respiratory Irritations | VAPORS ARE IRRITATING TO EYES & RESPIRATORY SYSTEM |
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| 消火手順 | FOAM, CARBON DIOXIDE, DRY CHEM. |
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| 処分方法 | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
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| Preventive Measures | ALL OPERATIONS INVOLVING USE OF KETONES SHOULD BE CONDUCTED IN WELL-VENTILATED CONDITIONS, EG BY PROVISION OF EFFICIENT EXHAUST VENTILATION. /KETONES/SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place. |
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