4-Ethoxybenzoic acid (HCID 12093)

이름 및 식별자

우선 이름: 4-Ethoxybenzoic acid
IUPAC: 4-ethoxybenzoic acid
현지명: 4-에톡시벤조익 산
영어명: 4-Ethoxybenzoic acid
분자식: C9H10O3
분자량: 166.17

이름 및 동의어

4-ETHOXYBENZOIC ACIDp-Ethoxybenzoic acidBenzoic acid, 4-ethoxy-Benzoic acid, p-ethoxy-UNII-TZR23XEQ7WTZR23XEQ7Wpara-Ethoxybenzoic acidNSC 8705NSC-8705EINECS 210-616-3AI3-20152DTXSID2060709

이름 더 보기

4-에쏘옥시벤조산4-에톡시벤조익산NSC8705ACS 0393AKOS BBB/248AKOS BBS-00003741P-CARBOXYPHENETOLEthoxybenzoic aciRARECHEM AL BO 0060

4-ethoxybenzoate4-Ethoxy-benzoateRefChem:98837Benzoic acid, p-ethoxy-(8CI)DTXCID5043182210-616-3InChI=1/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11SHSGDXCJYVZFTP-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 619-86-3
PubChem CID: 12093
DTXSID: DTXSID2060709
ChEMBL: CHEMBL324769
UNII: TZR23XEQ7W
EC Number: 210-616-3
Nikkaji: J26.915H

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 148

물리화학적 성질

녹는점: 197 · 197-199 °C(lit.)
끓는 점: 254.38 °C · 254.38°C (rough estimate)
밀도: 1.1708 · 1.1708 (rough estimate)
증기압: 0.071 Pa · 0.071Pa at 25℃
굴절률: 1.55 · 1.5500 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: almost transparency in hot Methanol
물리적 상태: powder to crystal
산도 계수 (pKa): 4.49 · 4.49±0.10(Predicted)
색상: 흰색에서 거의 흰색
수용성: 583 mg/L · 583mg/L at 25℃
BRN: 2207349 · 2207349
InChI: 1S/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChIKey: SHSGDXCJYVZFTP-UHFFFAOYSA-N
SMILES: CCOc1ccc(cc1)C(O)=O
LogP: 2.39 · 2.39
NIST: 4 · 4-Ethoxybenzoic acid(619-86-3)
EPA: 4 · Benzoic acid, 4-ethoxy- (619-86-3)

화학적 성질

White to light yellow crystal powder

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 (95.7%): 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 46 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

Regulatory Information · 2건

Chemical: Benzoic acid, 4-ethoxy-

Status: Cease Manufacture Update: 12-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20099

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (95.7%)

규제 정보

Regulatory Information · 2건

Chemical: Benzoic acid, 4-ethoxy-

Status: Cease Manufacture Update: 12-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20099

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29189900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-24/25-25-24
위험 등급: IRRITANT
Hazard Classifications: Aquatic Chronic 3Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 4-ethoxy-: INACTIVE

응용 분야

용도4-Ethoxybenzoic acid was used to prepare highly conducting and flexible few-walled carbon nanotube thin films.

상·하류 제품 정보

상류 원료

에폭시벤즈알데히드(4-)메틸4-에톡시벤조에이트

하류 제품

에틸 4-에톡시벤조산 4-ethoxy-N-methoxy-N-methylbenzamide 4-Hydroxy-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

常州帝通化工有限公司+86-0519-88298848 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

연결된 노트

불러오는 중…

4-에톡시벤조익 산

기본 정보