5-methylfuran-2-carbaldehyde

• ChemBase编号: 104340
• 分子式: C6H6O2
• 平均质量: 110.11064
• 单一同位素质量: 110.03677943
• SMILES: Cc1ccc(o1)C=O
• Canonical SMILES: Cc1ccc(o1)C=O
• InChI: InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
• InChIKey: OUDFNZMQXZILJD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-methylfuran-2-carbaldehyde
• IUPAC传统名: 5-methylfurfural
• 别名: 5-甲基-2-糠醛; 5-甲基呋喃醛; 5-甲基糠醛; 5-Methyl-2-furaldehyde; 5-METHYLFURFURAL; 5-METHYLFURAN-2-ALDEHYDE; 5-methylfuran-2-carbaldehyde; 5-Methylfurfural; 5-Methyl-2-furaldehyde; 5-Methylfurfural

登记号

• CAS号: 620-02-0
• EC号: 210-622-6
• MDL号: MFCD00003232
• Beilstein号: 106895
• PubChem SID: 24885018; 24901270; 24848320; 162092474
• PubChem CID: 12097
• FEMA编号: 2702
• 欧洲委员会编号: 119
• Flavis Number: 13.001

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.9455561
• LogD (pH = 7.4): 0.9455561
• Log P: 0.9455561
• 摩尔折射率: 30.1826 cm^3
• 极化性: 10.88227 Å^3
• 极化表面积: 30.21 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: very deep yellow to brown
• 沸点: 186-188°C; 187 °C(lit.); 187°C; 187-189 °C(lit.)
• 闪点: 161.6 °F; 72 °C; 72.7°C; 72°C(161°F)
• 密度: 1.105 g/mL at 20 °C(lit.); 1.106; 1.107 g/ml; 1.107 g/mL at 25 °C(lit.)
• 折射率: 1.5310; n20/D 1.531; n20/D 1.531(lit.)
• 感官: almond; caramel; spicy; sweet

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Air Sensitive
• RTECS编号: LT7032500
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2
• 危险公开号: 36/37/38; R:36/37/38
• 安全公开号: 26; 26-36; 26-37; S:20-25-26-37/39
• TSCA收录: 是
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Danger; Warning
• GHS危险声明: H315-H319-H335; H315-H319-H335-H227; H315-H319-H335-H360D
• GHS警示性声明: P201-P261-P305 + P351 + P338-P308 + P313; P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥97.0% (GC); ≥98%; 98%; 99%
• 级别: Halal; Kosher; NI; purum; ReagentPlus®
• 杂质: <0.3% DMF(residual starting material)
• Empirical Formula (Hill Notation): C6H6O2

详细说明

MP Biomedicals - 02155550

(5-Methyl-2-furaldehyde) 1 ml = approx. 1.1 g

Sigma Aldrich - 137316

包装
5, 25, 100 g in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC