식별자 및 물리적 특성
| CAS No. | 127-47-9 |
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| 분자식 | C22H32O2 |
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| 평균 분자량 | 328.5 g/mol |
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| 단동위원소 질량 | 328.24023026 g/mol |
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| SMILES | CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C |
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| InChIKey | QGNJRVVDBSJHIZ-QHLGVNSISA-N |
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| PubChem CID | 638034 |
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| ChEMBL | CHEMBL486193 |
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| ChEBI | CHEBI:32095 |
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| EC No. | 204-844-2 |
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| DTXSID | DTXSID6021240 |
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화학 및 물리적 성질
| XLogP | 6.3 |
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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 | 7 |
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| 무거운 원자 수 | 24 |
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| 형식 전하 | 0 |
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| 복잡도 | 595 |
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| 지질 | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> Retinoids [PR0109] |
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| 화장품 | Skin conditioning |
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| SpringerMaterials Properties | Chemical diffusion |
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| 식품 첨가물 | NUTRIENT SUPPLEMENT -> FDA Substance added to food |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.3% (1 of 374) of reports.DangerH315 (83.4%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P264, P273, P280, P302+P352, P318, P321, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 374 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 규제 정보 | Chemical: Retinol, acetateRegulation (EC) No 1831/2003 (amended)REACH registered substance: Retinyl acetate (EC: 204-844-2)Retinol acetate: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Skin Irrit. 2 (83.4%) |
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| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
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