識別子と物理属性
| CAS No. | 109-60-4 |
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| 分子式 | C5H10O2 |
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| 平均分子量 | 102.13 g/mol |
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| 単同位体質量 | 102.06807956 g/mol |
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| SMILES | CCCOC(C)=O |
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| InChIKey | YKYONYBAUNKHLG-UHFFFAOYSA-N |
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| PubChem CID | 7997 |
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| ChEMBL | CHEMBL44857 |
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| ChEBI | CHEBI:40116 |
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| EC No. | 203-686-1 |
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| DTXSID | DTXSID6021901 |
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化学・物理的性質
| XLogP | 1.2 |
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| 極性表面積 | 26.3 |
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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 | 2 |
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| 回転可能結合数 | 3 |
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| 重原子数 | 7 |
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| 形式電荷 | 0 |
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| 複雑度 | 59.1 |
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| 物質分類 | Flammable agents - 3rd degreeVolatile Organic Compound (VOC) |
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| 医薬品 | Pharmaceuticals -> Listed in ZINC15 |
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| Solvents | Solvents -> Esters (<C12) |
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| 化粧品 | Cosmetic ingredients (Propyl Acetate) -> CIR (Cosmetic Ingredient Review)Solvent |
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| SpringerMaterials Properties | Boiling point |
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| 香料 | Fragrance Ingredient (Propyl acetate) -> IFRA transparency List |
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| LogP（分配係数） | log Kow = 1.241.11 |
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| 臭い | Pleasant odorOdor of pearsMild, fruity odor |
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| 味 | Pleasant, bittersweet flavor reminiscent of pear on dilution. |
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| 食品添加物 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| 密度 | 0.886 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8820 g/cu cm at 25 °CBulk density: 7.36 lb/galRelative density (water = 1): 0.90.880-0.8860.840.836 g/cm3 |
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| 香味料 | EU Flavoring substances |
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| 融点 | -93 °C |
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| 沸点 | 101.5 °C |
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安全性と法規制
| GHS 分類 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.4% (11 of 3068) of reports.H225 (99.2%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
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| 規制情報 | Chemical: Acetic acid, propyl esterRegulation (EC) No 1831/2003 (amended)Acetic acid, propyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, propyl ester 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)Status: Active Update: 17-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14329Acetic acid, propyl ester: HSNO Approval: HSR001217 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
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| その他の安全情報 | IMAP assessments - Acetate esters (C2-C4): Human health tier II assessment |
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| 輸送ラベル（DOT） | Flammable Liquid |
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| 火災危険 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Vapour/air mixtures are explosive. |
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| 火災の可能性 | A flammable liquid and dangerous fire hazard when exposed to heat, flame, or oxidizers. |
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| 健康有害性 | Contact with skin and eyes causes no serious injury. High vapor concentrations will be irritating and will cause nausea, vomiting, and dizziness, with final loss of consciousness. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
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| 有害性の概要 | Esters may induce narcosis in animals, but workers' exposures are limited by irritating effects. See appendix in: [Dick RB, et al. Chemicals in the workplace: incorporating human neurobehavioral testing into the regulatory process. Am J Ind Med. 1998 May |
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