識別子と物理属性
| CAS No. | 2825-92-5 |
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| 分子式 | C10H18O2 |
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| 平均分子量 | 170.25 g/mol |
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| 単同位体質量 | 170.13067982 g/mol |
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| SMILES | CCCCCCC1CCC(=O)O1 |
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| InChIKey | IFYYFLINQYPWGJ-UHFFFAOYSA-N |
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| PubChem CID | 12813 |
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| ChEMBL | CHEMBL365740 |
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| ChEBI | CHEBI:145740 |
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| EC No. | 211-892-8 |
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| DTXSID | DTXSID4022109 |
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化学・物理的性質
| XLogP | 2.7 |
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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 | 5 |
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| 重原子数 | 12 |
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| 形式電荷 | 0 |
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| 複雑度 | 143 |
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| 物質分類 | Other Classes -> Lactones |
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| 香料 | Fragrance Ingredient (gamma-Decalactone) -> IFRA transparency List |
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| LogP（分配係数） | 2.720 |
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| 食品添加物 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| 密度 | 0.950-0.9550.9482 g/cm3 |
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| 香味料 | EU Flavoring substances |
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| 溶解度 | 1 ml in 1 ml 95% alcohol (in ethanol) |
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| 沸点 | 114.00 to 116.00 °C. @ 0.50 mm Hg281 °C125-127 °C(Press: 3.5 Torr) |
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| 蒸気圧 | 0.00512 [mmHg] |
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| 屈折率 | 1.447-1.451 |
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| Physical Description | CBIDry PowderLiquidColorless liquid[Alfa Aesar MSDS]colourless to pale yellow liquid with a fruity, peach-like odour |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 92.2% (1780 of 1930) of all reports.Not ClassifiedAggregated GHS information provided per 1930 reports by companies from 12 notifications to the ECHA C&L Inventory.WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement) |
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| 規制情報 | Chemical: 2(3H)-Furanone, 5-hexyldihydro-Regulation (EC) No 1831/2003 (amended)2(3H)-Furanone, 5-hexyldihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2(3H)-Furanone, 5-hexyldihydro- 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: 11-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/52812(3H)-Furanone, 5-hexyldihydro-: Does not have an individual approval but may be used under an appropriate group standard |
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| 有害性の概要 | A moderate skin irritantCauses anticonvulsant effects, altered sleep time, and decreased body temperature in acute oral studies of mice[RTECS] Safe when used as a flavoring agent in food[JECFA] A skin and strong eye irritant[Alfa Aesar MSDS] See Butyrolactone. |
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| Hazard Classes and Categories | Not ClassifiedSkin Irrit. 2 (100%) |
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| 有害作用 | Neurotoxin - Acute solvent syndrome |
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