Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-히드록시벤질 알콜
4-하이드록시벤질알코올 · 4-히드록시벤질알콜 · 4-하이드록시벤질알코올(4-HYDROXYBENZYLALCOHOL) · 하이드록시벤질알코올 · 4-하이드록시벤질 알코올 · 4-하이드록시벤질알콜 · 4-(Hydroxymethyl)phenol · P-HYDROXYBENZYL ALCOHOL
식별자 및 물리적 특성
| CAS No. | 623-05-2 |
|---|---|
| 분자식 | C7H8O2 |
| 평균 분자량 | 124.14 g/mol |
| 단동위원소 질량 | 124.0524295 g/mol |
| SMILES | OCc1ccc(O)cc1 |
| InChIKey | BVJSUAQZOZWCKN-UHFFFAOYSA-N |
| PubChem CID | 125 |
| ChEMBL | CHEMBL202132 |
| ChEBI | CHEBI:67410 |
| EC No. | 210-768-0 |
| DTXSID | DTXSID8073920 |
| 현지명 | 4-히드록시벤질 알콜 |
화학 및 물리적 성질
| XLogP | 0.2 |
|---|---|
| 극성 표면적 | 40.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 75 |
| 물질 분류 | Other Classes -> Phenols |
| LogP(분배 계수) | 0.250.48 |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 향미제 | EU Flavoring substances |
| 용해도 | 6700 mg/L @ 20 °C (exp)slightly soluble in watersoluble in organic solventssoluble (in ethanol)6.7g/l 수용성 |
| 끓는 점 | 252.00 °C. @ 760.00 mm Hg251-253°C |
| 녹는점 | 124.5 °C114-122 °C(lit.) |
| 증기압 | 0.000825 [mmHg] |
| Physical Description | White to cream crystalline powder[Alfa Aesar MSDS]SolidWhite crystalline powderslightly fruity-sweet coconut odour |
| 밀도 | 1.1006 (rough estimate) |
| 굴절률 | 1.5035 (estimate) |
| FEMA | 3987 | 4-HYDROXYBENZYL ALCOHOL |
| 인화점 | 251-253°C |
| 저장 조건 | Store below +30°C. |
| pKa(산도 계수) | pK1:9.82 (25°C) |
| 물리적 상태 | 결정성 분말 |
| 색상 | 핑크에서 베이지까지 |
| 냄새 | 100.00%에서. 과일 맛 쓴 아몬드 달콤한 코코넛 |
| 향취 유형 | 과일 같은 |
| 생물학적 소스 | synthetic |
| 용해도 | 물(20°C에서 6.7mg/ml), 디옥산(100mg/ml), 1N NaOH(50mg/ml), DMSO 및 메탄올에 용해됩니다. |
| JECFA Number | 955 |
| BRN | 1858967 |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 피부 컨디셔닝 |
| InChI | 1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2 |
| InChIKey | BVJSUAQZOZWCKN-UHFFFAOYSA-N |
| SMILES | OCc1ccc(O)cc1 |
| LogP(분배 계수) | 0.21 |
| NIST | Benzenemethanol, 4-hydroxy-(623-05-2) |
| EPA | 4-Hydroxybenzenemethanol (623-05-2) |
화학적 성질
4-Hydroxybenzyl alcohol is a white crystalline powder with slightly fruity-sweet coconut odor
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 12.1% (24 of 198) of reports.WarningH315 (27.3%): 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 198 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzenemethanol, 4-hydroxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 19-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27142Benzenemethanol, 4-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Causes other degenerative changes to brain and effects on other enzymes in acute intraperitoneal studies of miceHuman dermal administration causes allergic dermatitis and cutaneous sensitization in 2-day studies[RTECS] Safe when used as a flavoring agent in food[JECFA] A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (27.3%) |
| 유해 작용 | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | DA4796800 |
| 관세 코드 | 29072900 |
| 위험 문구(R) | 36-36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-24/25-36 |
| 기존화학 물질 | 2004-3-2924 |
| F 고인화성물질 | 8-9-23 |
| 위험 참고 사항 | Irritant/Keep Cold/Air Sensitive/Light Sensitive |
| 위험 등급 | Aquatic Chronic 3Eye Irrit. 2 |
| 저장 분류 | 11 - Combustible Solids |
용도
출처
Reportedly found in vanilla, Bourbon (Vanilla plantifolia Andrew
용도
4-Hydroxybenzyl alcohol is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
일반 설명
4-Hydroxybenzyl alcohol (HBA) is a phenolic compound found in Gastrodia elata. It is as an antioxidant and anti-asthmatic agent.
제조 및 합성 방법
제조 방법
Prepared from p-cresol by using the microorganism, Pseudomonas putida.