4-벤질록시페닐아세트산에틸에스테르

4-Benzyloxyphenylacetic acid ethyl ester

HCID 2737428CAS 56441-69-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)Cc1ccc(OCc2ccccc2)cc1
InChIKey: MMKJGLKGTNSPFJ-UHFFFAOYSA-N
분자식: C17H18O3
평균 분자량: 270.32 g/mol
단동위원소 질량: 270.12559444

이름 및 식별자

우선 이름: 4-Benzyloxyphenylacetic acid ethyl ester
IUPAC: ethyl 2-(4-phenylmethoxyphenyl)acetate
현지명: 4-벤질록시페닐아세트산에틸에스테르
영어명: 4-BENZYLOXYPHENYLACETIC ACID ETHYL ESTER
분자식: C17H18O3
분자량: 270.32

이름 및 동의어

56441-69-14-Benzyloxyphenylacetic acid ethyl esterEthyl 2-(4-(benzyloxy)phenyl)acetateethyl 2-(4-phenylmethoxyphenyl)acetateethyl 2-[4-(benzyloxy)phenyl]acetateMFCD00026898ethyl 4-(benzyloxy)phenylacetateEthyl 2-(4-benzyloxyphenyl)acetateEthyl 4-benzyloxyphenylacetateBenzeneacetic acid, 4-(phenylmethoxy)-, ethyl esterSCHEMBL1203178CHEMBL3278144

이름 더 보기

4-벤질록시페닐아세트산에틸에스테르2-(4-phenylmethoxyphenyl)acetic acid ethyl ester

DTXSID20372054MMKJGLKGTNSPFJ-UHFFFAOYSA-NEthyl [4-(benzyloxy)phenyl]acetateCK2068Ethyl2-(4-(benzyloxy)phenyl)acetateAKOS015995465AS-45862SY337075

데이터베이스 식별자

CAS: 56441-69-1
PubChem CID: 2737428
DTXSID: DTXSID20372054
ChEMBL: CHEMBL3278144
EC Number: 671-424-7
Nikkaji: J474.156K

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 7
무거운 원자 수: 20
형식 전하: 0
복잡도: 276

물리화학적 성질

녹는점: 29 · 29-31°C
끓는 점: 174 · 174/0.1mm
밀도: 1.11 · 1.110
인화점: 164 ℃ · 164℃

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.