식별자 및 물리적 특성
| CAS No. | 32844-67-0 |
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| 분자식 | C16H32O2 |
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| 평균 분자량 | 256.42 g/mol |
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| 단동위원소 질량 | 256.24023026 g/mol |
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| SMILES | CC(C)CCCCCCCCCCCCC(=O)O |
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| InChIKey | ZONJATNKKGGVSU-UHFFFAOYSA-N |
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| PubChem CID | 36247 |
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| ChEBI | CHEBI:84890 |
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| EC No. | 251-256-7 |
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| DTXSID | DTXSID9067726 |
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| 현지명 | 아이소헥사데칸산 |
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화학 및 물리적 성질
| XLogP | 6.1 |
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| 극성 표면적 | 37.3 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 2 |
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| 회전 가능 결합 수 | 13 |
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| 무거운 원자 수 | 18 |
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| 형식 전하 | 0 |
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| 복잡도 | 188 |
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| 지질 | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102] |
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| 녹는점 | 61.8 - 62.4 °C |
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| Physical Description | Other Solid |
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| LogP(분배 계수) | 6.655 (est) |
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| EPA | Isohexadecanoic acid (32844-67-0) |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.WarningH315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports. |
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| 규제 정보 | Chemical: Pentadecanoic acid, 14-methyl-Isohexadecanoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isohexadecanoic acid 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)Isohexadecanoic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| 기타 안전 정보 | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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| Hazard Classes and Categories | Skin Irrit. 2 (97.5%)Not Classified |
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| TSCA 등재 상태 | TSCA listed |
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| 기존화학 물질 | KE-21520 |
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