(Phenylmethoxy)acetaldehyde

HCID 108989CAS 60656-87-3

기본 정보

표준 SMILES: O=CCOCc1ccccc1
InChIKey: NFNOAHXEQXMCGT-UHFFFAOYSA-N
분자식: C9H10O2
평균 분자량: 150.17 g/mol
단동위원소 질량: 150.06807956

이름 및 식별자

우선 이름: (Phenylmethoxy)acetaldehyde
IUPAC: 2-phenylmethoxyacetaldehyde
영어명: Benzyloxyacetaldehyde
분자식: C9H10O2
분자량: 150.17

이름 및 동의어

60656-87-3(benzyloxy)acetaldehyde(Phenylmethoxy)acetaldehydeAcetaldehyde, (phenylmethoxy)-EINECS 262-349-7DTXSID30209468RefChem:406834DTXCID50131959262-349-72-(benzyloxy)acetaldehydeBenzyloxyacetaldehyde2-(phenyl-methoxy)-acetaldehyde

이름 더 보기

2-(Benzyloxy)ethanala-(Benzyloxy)acetaldehydeBenzyloxyacetaldehyde 97%alpha-(2-Oxoethoxy)tolueneBenzyloxyacetaldehyde CASBenzyloxyacetaldehyde,>95%

2-phenylmethoxyacetaldehyde2-benzyloxyacetaldehydeMFCD00191779(Benzyloxy)ethanalbenzyloxy acetaldehyde2-Benzyloxy acetaldehydealpha-benzyloxyacetaldehydeAcetaldehyde, 2-(phenylmethoxy)-

데이터베이스 식별자

CAS: 60656-87-3
PubChem CID: 108989
DTXSID: DTXSID30209468
ChEMBL: CHEMBL4461059
UNII: CT739FGS9K
EC Number: 262-349-7
Nikkaji: J47.876H

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 106

물리화학적 성질

끓는 점: 118 · 118-120 °C/13 mmHg (lit.)
밀도: 1.069 g/mL · 1.069 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.518(lit.)
인화점: 230 °F · >230 °F
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 기름
색상: 투명 무색
Specific Gravity: 1.069 · 1.069
안정성: 온도, 습기에 민감함
InChI: InChI=1S/C9H10O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-6H,7-8H2
InChIKey: NFNOAHXEQXMCGT-UHFFFAOYSA-N
SMILES: C(=O)COCC1=CC=CC=C1
LogP: 0.729 · 0.729 (est)

화학적 성질

Pale Yellow Oil

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 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Acetaldehyde, (phenylmethoxy)-

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29124990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Benzyloxyacetaldehyde may be used in the following syntheses:(3S,5S)-methyl 6-benzyloxy-3,5-dihydroxyhexanoate(S)-5-benzyloxy-4-hydroxypentan-2-one myxothiazols

일반 설명Benzyloxyacetaldehyde is a non-natural aldehyde. It undergoes enantioselective Mukaiyama aldol reaction with silylketene acetal nucleophiles in the presence of C2-symmetric bis(oxazolinyl)pyridine Cu(II) complex (catalyst).