furan-2-ylmethanol

• ChemBase编号: 80495
• 分子式: C5H6O2
• 平均质量: 98.09994
• 单一同位素质量: 98.03677943
• SMILES: o1c(ccc1)CO
• Canonical SMILES: OCc1ccco1
• InChI: InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
• InChIKey: XPFVYQJUAUNWIW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: furan-2-ylmethanol
• IUPAC传统名: furfuryl alcohol
• 别名: 2-(羟甲基)呋喃; 糠醇; 2-Furanmethanol; 2-Furanylmethanol; 2-Furfuryl Alcohol; 2-Furylcarbinol; 2-Furylmethanol; 2-Furylmethyl Alcohol; 5-Hydroxymethylfuran; Chem-Rez 200; Furfuralcohol; Furfuranol; Furylcarbinol; NSC 8843; α-Furfuryl Alcohol; α-Furylcarbinol; Furfuryl alcohol; 2-(Hydroxymethyl)furan; (Fur-2-yl)methanol; Furfuryl alcohol; 2-(Hydroxymethyl)furan; 2-furancarbinol; Furfuryl alcohol

登记号

• CAS号: 98-00-0
• EC号: 202-626-1
• MDL号: MFCD00003252
• Beilstein号: 106291
• 默克索引号: 144305
• PubChem SID: 24851190; 24900972; 162067615; 24894803
• PubChem CID: 7361
• CHEBI ID: 207496
• CHEMBL: 308187
• Chemspider ID: 7083
• FEMA编号: 2491
• 美国药典/FDA物质标识码: D582054MUH
• 维基百科标题: Furfuryl_alcohol
• 欧洲委员会编号: 2023
• Flavis Number: 13.019

理论计算性质

• Acid pKa: 13.748643
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.2661427
• LogD (pH = 7.4): 0.2661425
• Log P: 0.2661427
• 摩尔折射率: 25.2648 cm^3
• 极化性: 9.67314 Å^3
• 极化表面积: 33.37 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

• 溶解度: miscible in water
• 熔点: -29 °C(lit.); -29°C; -31°C
• 沸点: 170 °C(lit.); 170°C; 170-171°C
• 闪点: 149 °F; 65 °C; 65°C; 65°C(149°F)
• 自燃点: 915 °F
• 密度: 1.128 g/cm^3; 1.129; 1.135; 1.135 g/mL at 25 °C(lit.)
• 折射率: 1.4860; 1.4870; n20/D 1.486; n20/D 1.486(lit.); n20/D 1.487
• 蒸汽压: 0.5 mmHg ( 20 °C); 1 mmHg ( 32 °C); 5.5 mmHg ( 55 °C)
• 蒸汽密度: 3.4 (vs air)

安全信息

• 保存注意事项: Toxic/Carcinogenic/Harmful/Air Sensitive/Light Sensitive/Store under Argon
• RTECS编号: LU9100000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2874; UN2874
• 德国WGK号: 1
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 21/22-23-36/37-40-48/20
• 安全公开号: 36/37-45-63
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS08
• GHS警示词: Danger
• NFPA704:
  

  2

  3

  1
• 爆炸极限: 16.3 %
• GHS危险声明: H301-H311-H330-H319-H335-H351-H373-H227; H302-H312-H319-H331-H335-H351-H373
• GHS警示性声明: P261-P280-P305 + P351 + P338-P311; P280H-P304+P340-P309-P310
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2874 6.1/PG 3
• 保存温度: 2-8°C
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FDA 21 CFR (175.105)

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥97.0% (GC); ≥98%; ≥98.0% (GC); 98%
• 级别: Halal; Kosher; NI; purum; technical
• Empirical Formula (Hill Notation): C5H6O2

详细说明

Sigma Aldrich - F19906

包装
1 kg in glass bottle
25 g in glass bottle

Sigma Aldrich - W249106

包装
1 kg in glass bottle
玻璃瓶包装
1 sample in glass bottle
5, 10, 25 kg in steel drum

Sigma Aldrich - 185930

包装
1 kg in glass bottle
50, 250 g in glass bottle

Toronto Research Chemicals - F864220

Furfuryl Alcohol has been obtained by yeast reduction of furfural. Furfuryl Alcohol is used as solvent and in the manufacturing of wetting agents, resins.

参考文献

• Basketter, D., et al.: J. Appl. Toxicol., 19, 261 (1999)
• Butler, J., et al.: J. Immunoassay, 21, 165 (1999)
• Frederick, C., et al.: Toxicol. Appl. Pharmacol., 183, 23 (1999)
• Johnson, V., et al.: J. Immunol., 179, 1864 (1999)