4,5-디메틸-2-푸랄데하이드

4,5-Dimethyl-2-furaldehyde

HCID 643406CAS 52480-43-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(C=O)oc1C
InChIKey: JPTPEPVCVXGNJM-UHFFFAOYSA-N
분자식: C7H8O2
평균 분자량: 124.14 g/mol
단동위원소 질량: 124.0524295

이름 및 식별자

우선 이름: 4,5-Dimethyl-2-furaldehyde
IUPAC: 4,5-dimethylfuran-2-carbaldehyde
현지명: 4,5-디메틸-2-푸랄데하이드
영어명: 4,5-Dimethyl-2-furaldehyde
분자식: C7H8O2
분자량: 124.14

이름 및 동의어

52480-43-04,5-dimethyl-2-furaldehydeDTXSID70349175RefChem:1069402DTXCID303002474,5-dimethylfuran-2-carbaldehyde4,5-DimethylfurfuralMFCD000850304,5-dimethyl-2-furancarboxaldehyde4.5-Dimethyl-2-furaldehydeSCHEMBL7527764,5-dimethyl-2-furancarbaldehyde

이름 더 보기

4,5-디메틸-2-푸랄데하이드Furfural Impurity 194,5-Dimethylfurfural>4,5-DIMETHYL-2-FURALDEHYD4,5-Dimethyl-2-furaldehyde,97%4,5-DIMETHYL-2-FURANCARBOXALDEHYD

4,5-dimethyl-furan-2-carbaldehydeGEO-01189D26392-furancarboxaldehyde, 4,5-dimethyl-SCHEMBL32628944,5-Dimethyl-2-furaldehyde, 97%AKOS005167014SB60985

데이터베이스 식별자

CAS: 52480-43-0
PubChem CID: 643406
DTXSID: DTXSID70349175
EC Number: 672-145-3
Nikkaji: J498.241J

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 30.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 111

물리화학적 성질

끓는 점: 98 · 98-100 °C/12 mmHg (lit.)
밀도: 1.016 g/mL · 1.016 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.529(lit.)
인화점: 151 °F · 151 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 투명한 액체
색상: 무색~황색
BRN: 107585 · 107585
InChI: 1S/C7H8O2/c1-5-3-7(4-8)9-6(5)2/h3-4H,1-2H3
InChIKey: JPTPEPVCVXGNJM-UHFFFAOYSA-N
SMILES: Cc1cc(C=O)oc1C

화학적 성질

clear colorless to yellowish liquid

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29321900
risk_code: 36/38
hazard_code: Xi
safety_code: 24/25-37-26-23
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

일반 설명2,6-Dimethyl-4-pyrrone has been reported to undergo photochemical rearrangement to afford 4,5-dimethyl-2-furaldehyde. Mechanism of this photorearrangement has been described.