M-히드록시벤조 산
M-하이드록시벤조산 · M-히드록시벤조산 · 3-하이드록시벤조익애씨드 · m-살리실산 · M-HYDROXYBENZOIC ACID · 3-hydroxybenzoate · Benzoic acid, 3-hydroxy- · m-Salicylic acid
식별자 및 물리적 특성
| CAS No. | 99-06-9 |
|---|---|
| 분자식 | C7H6O3 |
| 평균 분자량 | 138.12 g/mol |
| 단동위원소 질량 | 138.03169405 g/mol |
| SMILES | O=C(O)c1cccc(O)c1 |
| InChIKey | IJFXRHURBJZNAO-UHFFFAOYSA-N |
| PubChem CID | 7420 |
| ChEMBL | CHEMBL65369 |
| ChEBI | CHEBI:30764 |
| EC No. | 202-726-5 |
| DTXSID | DTXSID6021610 |
| 현지명 | M-히드록시벤조 산 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 57.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 133 |
| 물질 분류 | Other Classes -> Benzoic Acid Derivatives |
| SpringerMaterials Properties | Chemical bond |
| LogP(분배 계수) | 1.50 |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 향미제 | EU Flavoring substances |
| 용해도 | 7.25 mg/mL at 25 °CSolubleSoluble (in ethanol)DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| 녹는점 | 202 °C200-203 °C (lit.) |
| 증기압 | 0.000158 [mmHg] |
| Physical Description | White or off-white powder[Alfa Aesar MSDS]SolidWhite crystalline powder |
| 끓는 점 | 213.5°C (rough estimate) |
| 밀도 | 1.4850 |
| 굴절률 | 1.4600 (estimate) |
| FEMA | 4431 | 3-HYDROXYBENZOIC ACID |
| 인화점 | 220 °C |
| 저장 조건 | Store below +30°C. |
| pKa(산도 계수) | 4.06(at 19℃) |
| 물리적 상태 | 가루 |
| 색상 | 흰색에서 황백색까지 |
| pH | 3 (H2O)Aqueous solution |
| 용해도 | 약간 용해됨 |
| JECFA Number | 2279 |
| BRN | 508160 |
| 화장품 원료 기능 | 피부 컨디셔닝 |
| InChI | 1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) |
| InChIKey | IJFXRHURBJZNAO-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cccc(O)c1 |
| LogP(분배 계수) | 1.50 |
| NIST | Benzoic acid, 3-hydroxy-(99-06-9) |
| EPA | m-Hydroxybenzoic acid (99-06-9) |
화학적 성질
White to light yellow crystal powder. 3-Hydroxybenzoic acid does not undergo decarboxylation at elevated temperature and is stable up to 300℃. This is in contrast to 2- and 4-hydroxybenzoic acids. Electrophilic substitution (e.g., nitration, halogenation, sulfonation) occurs ortho or para to the hydroxyl group. Thus, nitration with 62 % aqueous nitric acid gives 2-nitro-3-hydroxybenzoic acid as the main product, along with 4-nitro- and 6-nitro-3-hydroxybenzoic acids.
안전 및 규제
| GHS 분류 | WarningH302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzoic acid, 3-hydroxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)3-Hydroxybenzoic acid: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 유해성 요약 | A skin and strong eye irritantHarmful by ingestion[Alfa Aesar MSDS] See 4-Hydroxybenzoic acid. |
| Hazard Classes and Categories | Acute Tox. 4 (94%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DH1924980 |
| 관세 코드 | 29182990 |
| 위험 문구(R) | 22-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 26-36-37/39 |
| 기존화학 물질 | KE-20368 |
| 위험 참고 사항 | Irritant |
| 위험 등급 | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
3-Hydroxybenzoic acid is used as an intermediate in the manufacture of germicides, plasticizers, preservatives, light stabiliziers, petroleum additives, pharmaceuticals, and plasticizer. It can also be used for the synthesis of azo dyes and herbicide fomesafen.