메틸(R)-(+)-2-(4-히드록시페녹시)프로파노에이트

Methyl (R)-2-(4-hydroxyphenoxy)propionate

HCID 2733752

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 96562-58-2
표준 SMILES: COC(=O)[C@@H](C)Oc1ccc(O)cc1
InChIKey: UUYSCNGPNOYZMC-SSDOTTSWSA-N
분자식: C10H12O4
평균 분자량: 196.2 g/mol
단동위원소 질량: 196.07355886

개요

See also: Methyl (R)-(+)-2-(4-hydroxyphenoxy)-propionate (annotation moved to).

이름 및 식별자

우선 이름: Methyl (R)-2-(4-hydroxyphenoxy)propionate
IUPAC: methyl (2R)-2-(4-hydroxyphenoxy)propanoate
현지명: 메틸(R)-(+)-2-(4-히드록시페녹시)프로파노에이트
영어명: Methyl (R)-(+)-2-(4-hydroxyphenoxy)propanoate
분자식: C10H12O4
분자량: 196.2

이름 및 동의어

methyl (2R)-2-(4-hydroxyphenoxy)propanoateMethyl (R)-2-(4-hydroxyphenoxy)propionateRefChem:812418411-950-496562-58-2(R)-methyl 2-(4-hydroxyphenoxy)propanoateMethyl (R)-(+)-2-(4-hydroxyphenoxy)propionatePropanoic acid, 2-(4-hydroxyphenoxy)-, methyl ester, (2R)-METHYL (R)-(+)-2-(4-HYDROXYPHENOXY)PROPANOATEMFCD00274087(R)-(+)-2-(4-Hydroxyphenoxy)propionic Acid Methyl EsterEC 411-950-4

이름 더 보기

메틸(R)-(+)-2-(4-히드록시페녹시)프로파노에이트D-MAQD-MHPPMAQ-MeAURORA KA-6234Methyl (R)-(+)-2-(4-Methyl4-hydroxyphenoxypropionateMETHYL R-2-(4-HYDROXYPHENOXY)PROPIONATEMETHYL D-2-(4-HYDROXYPHENOXY) PROPIONATEMETHYL(+)-2-(4-HYDROXYPHENOXY)PROPIONATE

SCHEMBL8431462DTXSID20914458AKOS015888787CS-W015706Methyl D-2-(4-hydroxyphenoxy)propionateAC-23345AS-15959H0956

데이터베이스 식별자

CAS: 96562-58-2
PubChem CID: 2733752
DTXSID: DTXSID20914458
EC Number: 411-950-4
Nikkaji: J2.638.747G

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 185

물리화학적 성질

녹는점: 64 · 64-67 °C (lit.)
끓는 점: 313.4 · 313.4±17.0 °C(Predicted)
밀도: 1.187 · 1.187±0.06 g/cm3(Predicted)
증기압: 0 Pa · 0Pa at 20℃
굴절률: 42.5 ° · 42.5 ° (C=1, CHCl3)
저장 조건: Inert atmosphere,Room Temperature
용해도: 9320 in · 9320 in mg/100g standard fat at 20 ℃
물리적 상태: powder to crystal
산도 계수 (pKa): 10.07 · 10.07±0.15(Predicted)
색상: White to Orange to Green
수용성: 13.46 g/L · 13.46g/L at 20℃
InChI: 1S/C10H12O4/c1-7(10(12)13-2)14-9-5-3-8(11)4-6-9/h3-7,11H,1-2H3/t7-/m1/s1
InChIKey: UUYSCNGPNOYZMC-SSDOTTSWSA-N
SMILES: COC(=O)[C@@H](C)Oc1ccc(O)cc1
LogP: 1.29 at · 1.29 at 22℃
EPA: 2 · Propanoic acid, 2-(4-hydroxyphenoxy)-, methyl ester, (2R)- (96562-58-2)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory InformationStatus: Active Update: 27-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/33882

Hazard Classes and Categories · 3건

Eye Dam. 1 (100%)

Eye damage - category 1

Eye Dam. 1

안전 데이터

wgk: 2
HS 번호: 29181990
risk_code: 41-52/53
hazard_code: Xi
safety_code: 26-39-61
Hazard Classifications: Aquatic Chronic 3Eye Dam. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사100 곳

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

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