Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 78093생성일: 2026년 10월 26일
3,5-디메톡시-4-하이드록시페닐아세트산
3,5-디메톡시-4-하이드록시페닐아세트산 · HOMOSYRINGIC ACID · 2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid · SKL313 · RARECHEM AL BO 0593 · 3,5-DIMETHOXY-4-HYDROXYPHENYLACETIC ACID · 4-Hydroxy-3,5-dimethoxybenzeneacetic acid · 4-Hydroxy-3,5-dimethoxyphenylaceticAcid>(4-Hydroxy-3,5-dimethoxyphenyl)acetic acid
https://huagongshe.com/ko/chemical/78093
식별자 및 물리적 특성
| CAS No. | 4385-56-2 |
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| 분자식 | C10H12O5 |
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| 평균 분자량 | 212.2 g/mol |
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| 단동위원소 질량 | 212.06847348 g/mol |
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| SMILES | COc1cc(CC(=O)O)cc(OC)c1O |
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| InChIKey | BQBQKSSTFGCRQL-UHFFFAOYSA-N |
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| PubChem CID | 78093 |
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| EC No. | 224-494-4 |
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| DTXSID | DTXSID60195961 |
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| 현지명 | 3,5-디메톡시-4-하이드록시페닐아세트산 |
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화학 및 물리적 성질
| XLogP | 1 |
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| 극성 표면적 | 76 |
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| 수소 결합 공여자 수 | 2 |
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| 수소 결합 수용자 수 | 5 |
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| 회전 가능 결합 수 | 4 |
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| 무거운 원자 수 | 15 |
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| 형식 전하 | 0 |
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| 복잡도 | 204 |
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| 녹는점 | 127-131 °C (lit.) |
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| 끓는 점 | 397.1±37.0 °C(Predicted) |
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| 밀도 | 1.299±0.06 g/cm3(Predicted) |
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| 저장 조건 | Sealed in dry,Room Temperature |
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| 물리적 상태 | powder to crystal |
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| pKa(산도 계수) | 4.29±0.10(Predicted) |
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| 색상 | White to Orange to Green |
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| InChI | 1S/C10H12O5/c1-14-7-3-6(5-9(11)12)4-8(15-2)10(7)13/h3-4,13H,5H2,1-2H3,(H,11,12) |
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| InChIKey | BQBQKSSTFGCRQL-UHFFFAOYSA-N |
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| SMILES | COc1cc(CC(O)=O)cc(OC)c1O |
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안전 및 규제
| GHS 분류 | WarningH302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (13%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (10.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Acute Tox. 4 (87%)Skin Irrit. 2 (13%)Eye Irrit. 2 (100%)STOT SE 3 (10.9%) |
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| 수질 위해 등급(WGK) | 3 |
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| 관세 코드 | 2918999090 |
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| 위험 문구(R) | 22-36 |
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| 위험 표시 | Xn |
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| 안전 문구(S) | 26-36/37 |
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| 위험 등급 | Acute Tox. 4 OralEye Irrit. 2 |
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| 저장 분류 | 11 - Combustible Solids |
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