dimethyl dicarbonate

• ChemBase编号: 127076
• 分子式: C4H6O5
• 平均质量: 134.08744
• 单一同位素质量: 134.02152329
• SMILES: O=C(OC(=O)OC)OC
• Canonical SMILES: COC(=O)OC(=O)OC
• InChI: InChI=1S/C4H6O5/c1-7-3(5)9-4(6)8-2/h1-2H3
• InChIKey: GZDFHIJNHHMENY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl dicarbonate
• IUPAC传统名: dimethyl dicarbonate
• 别名: DMDC; Dicarbonic acid dimethyl ester; Dimethyl pyrocarbonate; Velcorin; Dimethyl dicarbonate; DMPC; Pyrocarbonic acid dimethyl ester; Dimethyl dicarbonate

登记号

• CAS号: 4525-33-1
• EC号: 224-859-8
• MDL号: MFCD00008419
• Beilstein号: 956715
• PubChem SID: 24865003; 162221399; 24893938
• PubChem CID: 3086
• Chemspider ID: 2976
• 维基百科标题: Dimethyl_dicarbonate

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.9260629
• LogD (pH = 7.4): 0.9260629
• Log P: 0.9260629
• 摩尔折射率: 25.3292 cm^3
• 极化性: 10.615823 Å^3
• 极化表面积: 61.83 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Colorless liquid
• 熔点: 16 - 18°C
• 沸点: 172°C; 45-46 °C/5 mmHg(lit.)
• 闪点: 176 °F; 80 °C
• 密度: 1.25 g/mL; 1.25 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.392(lit.); n20/D 1.393
• 粘度: 2.1 Pa·s (20 °C)

安全信息

• RTECS编号: HT0362500
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2927
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 21/22-23-34; R22 R23 R34
• 安全公开号: 18-26-28-36/37/39-38-45; S7/9 S26 S36/37/39 S45
• GHS危险品标识: GHS05; GHS06
• GHS警示词: Danger
• 主要危害: Toxic
• GHS危险声明: H302 + H312-H314-H330
• GHS警示性声明: P260-P280-P284-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2927 6.1/PG 2
• 保存温度: room temp

产品相关信息

• 纯度: ≥97.0% (T)
• 有效期: (limited shelf life, expiry date on the label)
• 线性分子式: (CH3OCO)2O

详细说明

Sigma Aldrich - D5520

Application
Methylates one or two histidine residues at the active site of PEP carboxykinase; the resulting inhibition is only partially reversible.1
包装
25, 100 mL in PVC coated

Sigma Aldrich - 40130

Other Notes
Methoxycarbonylating agent, e.g. for aminobenzimidazoles and aminoisoxazoles3
Application
Antimicrobial agent effective for producing pathogen-free apple cider.1 Also useful for killing yeast (but not acetogenic bacteria) in wine before bottling.2