2-BENZYL-5-ACETYLMETHYL살리실레이트

Benzoic acid, 5-acetyl-2-(phenylmethoxy)-, methyl ester

HCID 12368981

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 27475-09-8
표준 SMILES: COC(=O)c1cc(C(C)=O)ccc1OCc1ccccc1
InChIKey: CCBVZNHYLQHOLD-UHFFFAOYSA-N
분자식: C17H16O4
평균 분자량: 284.31 g/mol
단동위원소 질량: 284.10485899

이름 및 식별자

우선 이름: Benzoic acid, 5-acetyl-2-(phenylmethoxy)-, methyl ester
IUPAC: methyl 5-acetyl-2-phenylmethoxybenzoate
현지명: 2-BENZYL-5-ACETYLMETHYL살리실레이트
영어명: 2-BENZYL-5-ACETYL METHYL SALICYLATE
분자식: C17H16O4
분자량: 284.31

이름 및 동의어

Benzoic acid, 5-acetyl-2-(phenylmethoxy)-, methyl esterRefChem:566108Methyl 5-acetyl-2-(benzyloxy)benzoate27475-09-8methyl 5-acetyl-2-phenylmethoxybenzoatemethyl5-acetyl-2-(benzyloxy)benzoate2-benzyloxy-5-acetylbenzoic acid methyl ester5-Acetyl-2-benzyloxymethylsalicylateMFCD00075778Methyl 5-acetyl-2-benzyloxysalicylateSalbutamol Impurity 732-BENZYL-5-ACETYL METHYL SALICYLATE

이름 더 보기

2-BENZYL-5-ACETYLMETHYL살리실레이트Salbutamol Impurity 79Glutathione Impurity 18Benzyl Albuterol Impurity 3Benzylsalbutamol impurity 35-ACETYL-2-BENZYLOXYMETHYLBENZOATEMETHYL 5-ACETYL-2-BENZYLOXYBENZOATEMethyl 2-(benzyloxy)-5-acetylbenzoate

SCHEMBL131382Benzoic acid,5-acetyl-2-(phenylmethoxy)-,methyl esterS6D36MW93EDTXSID00494708CCBVZNHYLQHOLD-UHFFFAOYSA-NCS-M1166methyl 5-acetyl-2-benzyloxy-benzoateAKOS022173487

데이터베이스 식별자

CAS: 27475-09-8
PubChem CID: 12368981
DTXSID: DTXSID00494708
UNII: S6D36MW93E
EC Number: 608-103-8

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 21
형식 전하: 0
복잡도: 360

물리화학적 성질

끓는 점: 443.5 · 443.5±35.0 °C(Predicted)
밀도: 1.167 · 1.167±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C

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.