4,5-二甲基-2-糠醛

4,5-Dimethyl-2-furaldehyde

HCID 643406CAS 52480-43-0

子结构检索查找相似结构

基本信息

标准SMILES: Cc1cc(C=O)oc1C
InChIKey: JPTPEPVCVXGNJM-UHFFFAOYSA-N
分子式: C7H8O2
平均分子量: 124.14 g/mol
单同位素质量: 124.0524295

名称与标识

首选名称: 4,5-Dimethyl-2-furaldehyde
IUPAC: 4,5-dimethylfuran-2-carbaldehyde
中文名: 4,5-二甲基-2-糠醛
英文名: 4,5-Dimethyl-2-furaldehyde
分子式: C7H8O2
分子量: 124.14

名称与别名

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

展开更多名称

糠醛杂质194,5-二甲基糠醛4,5-二甲基-2-糠醛4,5-二甲基-2-呋喃醛4,5-二甲基呋喃-2-甲醛4,5-二甲基-2-呋喃甲醛4,5-二甲基-2-糠醛,97%Furfural 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

数据库标识

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

性质

结构计算性质

XLogP: 1.5
极性表面积: 30.2 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 111

物理化学性质

沸点: 98 · 98-100 °C/12 mmHg (lit.)
密度: 1.016 g/mL · 1.016 g/mL at 25 °C (lit.)
折射率: 20 · n20/D 1.529(lit.)
闪点: 151 °F · 151 °F
储存条件: Keep in dark place,Inert atmosphere,Room temperature
形态: clear liquid
颜色: Colorless to Yellow
敏感性: Air & Light Sensitive
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
CAS 数据库: 52480 · 52480-43-0(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

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.