Methyl 3-Hydroxybenzoate (HCID 88068)

이름 및 식별자

우선 이름: Methyl 3-Hydroxybenzoate
IUPAC: methyl 3-hydroxybenzoate
영어명: Methyl 3-hydroxybenzoate
분자식: C8H8O3
분자량: 152.15

이름 및 동의어

Methyl 3-hydroxybenzoate19438-10-9Methyl m-hydroxybenzoate3-Hydroxybenzoic acid methyl esterm-Carbomethoxyphenolm-Hydroxybenzoic acid methyl esterBenzoic acid, 3-hydroxy-, methyl esterMethyl m-oxybenzoate3-(Methoxycarbonyl)phenol3-carbomethoxyphenolBenzoic acid, m-hydroxy-, methyl esterNSC 40536

이름 더 보기

AKOS BBB/380AKOS BBS-00004297RARECHEM AL BF 0067Methyl 3-hydroxybenzo

569M9G3STJEINECS 243-071-5NSC-40536AI3-31869DTXSID50173071BENZOIC ACID,3-HYDROXY,METHYL ESTERRefChem:815509DTXCID8095562

데이터베이스 식별자

CAS: 19438-10-9
PubChem CID: 88068
DTXSID: DTXSID50173071
ChEMBL: CHEMBL2272613
ChEBI: CHEBI:165218
UNII: 569M9G3STJ
EC Number: 243-071-5
Nikkaji: J47.816D

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 144

실험 및 물리화학적 성질

Kovats Retention Index · 2건

1415；1389；1384；1365；1429

2012

물리화학적 성질

녹는점: 70 · 70-72 °C (lit.)
끓는 점: 280 · 280-281 °C/709 mmHg (lit.)
밀도: 1.1528 · 1.1528
굴절률: 1.4447 · 1.4447 (estimate)
인화점: 280 · 280-281°C/708mm
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름, 디메틸 설폭사이드, 에탄올 및 메탄올에 용해됩니다.
산도 계수 (pKa): 9.15 · 9.15±0.10(Predicted)
물리적 상태: 크리스탈
색상: 베이지색
BRN: 2208129 · 2208129
InChI: InChI=1S/C8H8O3/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5,9H,1H3
InChIKey: YKUCHDXIBAQWSF-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=CC(O)=C1
LogP: 1.89 · 1.890
NIST: 3 · 3-HO-C6H4-COOCH3(19438-10-9)

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory 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 60 reports by companies from 8 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

Regulatory InformationChemical: Benzoic acid, 3-hydroxy-, methyl ester

Hazard Classes and CategoriesAcute Tox. 4 (90%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98.3%)

규제 정보

Regulatory InformationChemical: Benzoic acid, 3-hydroxy-, methyl ester

안전 데이터

wgk: 3
HS 번호: 29163100
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Methyl 3-hydroxybenzoate is used in the preparation of 3-hydroxybenzene-1,2-dicarbaldehyde and O-methyl O-[3-methyl-4-(methylthio)phenyl]O-(3-methylcarboxyphenyl) phosphorothioate.