2-메톡시히드로신남산메틸에스테르

Methyl 3-(2-methoxyphenyl)propanoate

HCID 562482

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 55001-09-7
표준 SMILES: COC(=O)CCc1ccccc1OC
InChIKey: BJDNTBIPIZYXPN-UHFFFAOYSA-N
분자식: C11H14O3
평균 분자량: 194.23 g/mol
단동위원소 질량: 194.0942943

이름 및 식별자

우선 이름: Methyl 3-(2-methoxyphenyl)propanoate
IUPAC: methyl 3-(2-methoxyphenyl)propanoate
현지명: 2-메톡시히드로신남산메틸에스테르
영어명: 2-Methoxyhydrocinnamic acid methyl ester
분자식: C11H14O3
분자량: 194.23

이름 및 동의어

Methyl 3-(2-methoxyphenyl)propanoate55001-09-7DTXSID50340206RefChem:354644DTXCID30291287Methyl 3-(2-methoxyphenyl)propionateMFCD12031733Benzenepropanoic acid, 2-methoxy-, methyl esterMethyl3-(2-methoxyphenyl)propanoateSCHEMBL2441285SCHEMBL2965106CHEMBL2252088

이름 더 보기

2-메톡시히드로신남산메틸에스테르Methyl 2-methoxybenzenepropanoate2-Methoxyhydrocinnamic acid methyl ester2-Methoxybenzenepropionic acid methyl ester2-Methoxybenzenepropanoic acid methyl ester3-(2-methoxyphenyl)-propionic acid methyl ester

AKOS016845217Methyl 3-(2-methoxyphenyl)propanoate #AS-87400SY505055DB-071930CS-0327003Methyl 3-(2-methoxyphenyl)propionate, 97%G79026

데이터베이스 식별자

CAS: 55001-09-7
PubChem CID: 562482
DTXSID: DTXSID50340206
ChEMBL: CHEMBL2252088
EC Number: 687-140-1
Nikkaji: J121.711I

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 179

물리화학적 성질

끓는 점: 263 · 263.0±15.0 °C(Predicted)
밀도: 1.075 g/mL · 1.075 g/mL at 25 °C
굴절률: 20 · n20/D1.512
인화점: 110 ℃ · >110℃
물리적 상태: liquid
InChI: 1S/C11H14O3/c1-13-10-6-4-3-5-9(10)7-8-11(12)14-2/h3-6H,7-8H2,1-2H3
InChIKey: BJDNTBIPIZYXPN-UHFFFAOYSA-N
SMILES: COC(=O)CCc1ccccc1OC

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；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 CategoriesEye Irrit. 2 (100%)

안전 데이터

wgk: 3
risk_code: 36-52/53
hazard_code: Xi
safety_code: 26-61
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

공급사25 곳

山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

上海昕博生物科技有限公司18016367361 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]

郑州药领医药科技有限公司13526569071 · [email protected]

화합물 노트

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