6-메톡시살리실산

2-Hydroxy-6-methoxybenzoic acid

HCID 591524

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3147-64-6
표준 SMILES: COc1cccc(O)c1C(=O)O
InChIKey: AAUQLHHARJUJEH-UHFFFAOYSA-N
분자식: C8H8O4
평균 분자량: 168.15 g/mol
단동위원소 질량: 168.04225873

이름 및 식별자

우선 이름: 2-Hydroxy-6-methoxybenzoic acid
IUPAC: 2-hydroxy-6-methoxybenzoic acid
현지명: 6-메톡시살리실산
영어명: 6-Methoxysalicylic acid
분자식: C8H8O4
분자량: 168.15

이름 및 동의어

2-Hydroxy-6-methoxybenzoic acid3147-64-6DTXSID60343682RefChem:473315DTXCID90294759626-007-4824-894-46-Methoxysalicylic acidMFCD00674090Benzoic acid, 2-hydroxy-6-methoxy-6-MethoxysalicylsaureSCHEMBL973470

이름 더 보기

6-메톡시살리실산jyjbjs6-MethoxysalicilicRARECHEM AL BE 15016-MethoxysalicylicAcid>6-Methoxysalicylic acid 98%6-Hydroxy-2-methoxybenzoic acid

PD054432SY047059M1941EN300-182671O108002-Hydroxy-6-methoxybenzenecarboxylic Acid;6-Hydroxy-o-anisic AcidAMY18254

데이터베이스 식별자

CAS: 3147-64-6
PubChem CID: 591524
DTXSID: DTXSID60343682
ChEMBL: CHEMBL3093473
ChEBI: CHEBI:169986
EC Number: 626-007-4
Nikkaji: J141.666I

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 168

물리화학적 성질

녹는점: 134 · 134-138
끓는 점: 330.4 · 330.4±27.0 °C(Predicted)
밀도: 1.351 · 1.351±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 2.98 · 2.98±0.25(Predicted)
물리적 상태: 가루
색상: 하얀색
InChI: InChI=1S/C8H8O4/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKey: AAUQLHHARJUJEH-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=C(OC)C=CC=C1O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 44 reports by companies from 6 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

안전 데이터

wgk: 3
HS 번호: 29189900
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도6-Methoxysalicylic acid has been used to fabricate a dummy template molecule required for the preparation of dummy molecularly imprinted polymers (DMIPs). These polymers are useful for the simultaneous selective removal and enrichment of ginkgolic acids (GAs) during the processing of Ginkgo biloba leaves. It may be employed as internal standard for the determination of acetylsalicylic acid (aspirin, ASA) and its major metabolite, salicylic acid (SA), in animal plasma by LC/MS/MS.

일반 설명6-Methoxysalicylic acid has been reported to exhibit significant analgesic effects.