5-Isopropyl-4-methoxy-2-methylbenzaldehyde

HCID 3276129CAS 105337-42-6

기본 정보

표준 SMILES: COc1cc(C)c(C=O)cc1C(C)C
InChIKey: UREBGRBNUQCTAF-UHFFFAOYSA-N
분자식: C12H16O2
평균 분자량: 192.25 g/mol
단동위원소 질량: 192.11502975

이름 및 식별자

우선 이름: 5-Isopropyl-4-methoxy-2-methylbenzaldehyde
IUPAC: 4-methoxy-2-methyl-5-propan-2-ylbenzaldehyde
영어명: AKOS BC-2521
분자식: C12H16O2
분자량: 192.25

이름 및 동의어

5-ISOPROPYL-4-METHOXY-2-METHYLBENZALDEHYDE105337-42-6DTXSID00390938RefChem:303592DTXCID10341799804-807-64-methoxy-2-methyl-5-propan-2-ylbenzaldehydeMFCD026293805-isopropyl-4-methoxy-2-methyl-benzaldehydeBenzaldehyde, 4-methoxy-2-methyl-5-(1-methylethyl)-4-methoxy-2-methyl-5-(methylethyl)benzaldehyde4-methoxy-2-methyl-5-(propan-2-yl)benzaldehyde

이름 더 보기

4-methoxy-2-methyl-5-propan-2-yl-benzaldehyde4-Methoxy-2-methyl-5-(1-methylethyl)benzaldehyde5-isopropyl-4-methoxy-2-methylbenzaldehyde(SALTDATA: FREE)

ZINC02597446ASISCHEM R35270AKOS BC-2521SCHEMBL6405698UREBGRBNUQCTAF-UHFFFAOYSA-NCHEMBRDG-BB 6531894ALBB-025883AC2079

데이터베이스 식별자

CAS: 105337-42-6
PubChem CID: 3276129
DTXSID: DTXSID00390938
EC Number: 804-807-6

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 189

물리화학적 성질

저장 조건: 2 · 2-8°C, stored under nitrogen

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.