2-Methyl-2-phenylpropanal

HCID 283879CAS 3805-10-5

기본 정보

표준 SMILES: CC(C)(C=O)c1ccccc1
InChIKey: RJOWHRLIQNKYKW-UHFFFAOYSA-N
분자식: C10H12O
평균 분자량: 148.2 g/mol
단동위원소 질량: 148.088815

이름 및 식별자

우선 이름: 2-Methyl-2-phenylpropanal
IUPAC: 2-methyl-2-phenylpropanal
영어명: 2-methyl-2-phenylpropanal
분자식: C10H12O
분자량: 148.2

이름 및 동의어

2-Methyl-2-phenylpropanalDTXSID70300822RefChem:475192DTXCID80251957824-777-83805-10-5MFCD120318362-Methyl-2-phenyl-propanalBenzeneacetaldehyde, a,a-dimethyl-NSC139130PhenyldimethylacetaldehydSCHEMBL43182

이름 더 보기

Benzeneacetaldehyde, α,α-dimethyl-

SCHEMBL567342-Methyl-2-phenylpropanal #SCHEMBL276351152-methyl-2-phenyl-propionaldehydeAKOS012321794AT22663NSC-139130Benzeneacetaldehyde, alpha,alpha-dimethyl-

데이터베이스 식별자

CAS: 3805-10-5
PubChem CID: 283879
DTXSID: DTXSID70300822
EC Number: 824-777-8
Nikkaji: J846.655F

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 132

물리화학적 성질

끓는 점: 215 · 215-218 °C
밀도: 0.965 · 0.965±0.06 g/cm3(Predicted)

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)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.