識別子と物理属性
| CAS No. | 142-18-7 |
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| 分子式 | C15H30O4 |
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| 平均分子量 | 274.4 g/mol |
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| 単同位体質量 | 274.21440944 g/mol |
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| SMILES | CCCCCCCCCCCC(=O)OCC(O)CO |
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| InChIKey | ARIWANIATODDMH-UHFFFAOYSA-N |
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| PubChem CID | 14871 |
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| ChEMBL | CHEMBL510533 |
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| ChEBI | CHEBI:75539 |
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| EC No. | 205-526-6 |
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| DTXSID | DTXSID5041275 |
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化学・物理的性質
| XLogP | 4.2 |
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| 極性表面積 | 66.8 |
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| 水素結合供与体数 | 2 |
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| 水素結合受容体数 | 4 |
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| 回転可能結合数 | 14 |
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| 重原子数 | 19 |
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| 形式電荷 | 0 |
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| 複雑度 | 206 |
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| 化粧品 | Cosmetic ingredients (Glyceryl Laurate) -> CIR (Cosmetic Ingredient Review)EmulsifyingEmollient |
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| 香料 | Fragrance Ingredient (Dodecanoic acid, 2,3-dihydroxypropyl ester) -> IFRA transparency List |
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| Physical Description | Large CrystalsLiquid |
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| Collision Cross Section | 176.3 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID5041275] |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 64.1% (159 of 248) of all reports.WarningH319 (35.9%): 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 248 reports by companies from 2 notifications to the ECHA C&L Inventory.This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports. |
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| 規制情報 | Chemical: Dodecanoic acid, 2,3-dihydroxypropyl esterChemical: Dodecanoic acid, monoester with 1,2,3-propanetriolDodecanoic acid, 2,3-dihydroxypropyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecanoic acid, 2,3-dihydroxypropyl 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: 24-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13112Dodecanoic acid, 2,3-dihydroxypropyl ester: Does not have an individual approval but may be used under an appropriate group standardDodecanoic acid, monoester with 1,2,3-propanetriol: Does not have an individual approval but may be used under an appropriate group standard |
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| その他の安全情報 | IMAP assessments - Dodecanoic acid, 2,3-dihydroxypropyl ester: Human health tier I assessmentIMAP assessments - Dodecanoic acid, monoester with 1,2,3-propanetriol: Human health tier I assessment |
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| EPA Safer Chemical | Chemical: Glyceryl monolaurate |
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| Hazard Classes and Categories | Eye Irrit. 2 (35.9%)Not Classified |
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| 毒性の概要 | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
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