식별자 및 물리적 특성
| CAS No. | 2825-92-5 |
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| 분자식 | C10H18O2 |
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| 평균 분자량 | 170.25 g/mol |
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| 단동위원소 질량 | 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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화학 및 물리적 성질
| XLogP | 2.7 |
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| 극성 표면적 | 26.3 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 2 |
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| 회전 가능 결합 수 | 5 |
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| 무거운 원자 수 | 12 |
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| 형식 전하 | 0 |
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| 복잡도 | 143 |
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| 물질 분류 | Other Classes -> Lactones |
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| 향료 | Fragrance Ingredient (gamma-Decalactone) -> IFRA transparency List |
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| LogP(분배 계수) | 2.720 |
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| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| 밀도 | 0.950-0.9550.9482 g/cm3 |
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| 향미제 | EU Flavoring substances |
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| 용해도 | 1 ml in 1 ml 95% alcohol (in ethanol) |
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| 끓는 점 | 114.00 to 116.00 °C. @ 0.50 mm Hg281 °C125-127 °C(Press: 3.5 Torr) |
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| 증기압 | 0.00512 [mmHg] |
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| 굴절률 | 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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안전 및 규제
| GHS 분류 | 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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| 규제 정보 | 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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| 유해성 요약 | 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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| 유해 작용 | Neurotoxin - Acute solvent syndrome |
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