trimethoxymethane

• ChemBase编号: 104754
• 分子式: C4H10O3
• 平均质量: 106.1204
• 单一同位素质量: 106.06299418
• SMILES: COC(OC)OC
• Canonical SMILES: COC(OC)OC
• InChI: InChI=1S/C4H10O3/c1-5-4(6-2)7-3/h4H,1-3H3
• InChIKey: PYOKUURKVVELLB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: trimethoxymethane
• IUPAC传统名: trimethyl orthoformate
• 别名: 三甲氧基甲烷; 三甲基原甲酸酯; 原甲酸三甲酯; METHYL ORTHOFORMATE; Trimethoxymethane; Trimethyl orthoformate; 2-Methoxyacetaldehyde dimethyl acetal; Methoxymethylal; Methyl orthoformate; 1,1'1''-[Methylidyne tris(oxyl)]-tris[methanel]; TRIMETHYL ORTHOFORMATE; Orthoformic acid trimethyl ester

登记号

• CAS号: 149-73-5
• EC号: 205-745-7
• MDL号: MFCD00008483
• Beilstein号: 969215
• 默克索引号: 146884
• PubChem SID: 24858434; 162093096; 24846805
• PubChem CID: 9005
• Chemspider ID: 8655
• 维基百科标题: Trimethyl_orthoformate

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.7434416
• LogD (pH = 7.4): 0.7434416
• Log P: 0.7434416
• 摩尔折射率: 25.3384 cm^3
• 极化性: 10.241282 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Colorless liquid
• 熔点: -53 °C; -53 °C; -53°C
• 沸点: 101 - 102 °C at 1013 hPa; 101-102 °C(lit.); 101–102 °C; 101-102°C
• 闪点: 13 °C (closed cup and DIN 51755); 13 °C; 13 °C; 15°C(59°F); 55.4 °F
• 密度: 0.968; 0.97 g/mL; 0.97 g/mL at 25 °C(lit.); ca. .97 g/cm^3 at 20 °C
• 折射率: 1.3790; n20/D 1.379; n20/D 1.379(lit.)
• 蒸汽压: 10 hPa at 7 °C; 23.5 mmHg ( 20 °C); 40 mmHg ( 30 °C); 57 mmHg ( 40 °C)
• 蒸汽密度: 3.67 (vs air)

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate
• 保存注意事项: Moisture Sensitive
• RTECS编号: RM6650000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1993; 3272; UN3272
• 德国WGK号: 1
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 3YE
• 危险公开号: 11-36; 11-36/37/38; R:11-36; RPhrases R11 R36
• 安全公开号: 26-37-60; 9-16-26; S:9-16-26; S9 S16 S26
• 欧盟危险货物分类: F1
• 欧盟危险识别号(EUHIN): 3B
• 美国ERG指导号: 128
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Danger
• 爆炸极限: 5.1 %
• GHS危险声明: H225-H315-H319-H335; H225-H319
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P305 + P351 + P338
• 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 3272 3/PG 2

产品相关信息

• 纯度: ≥98.0% (GC); ≥99.0% (GC); 98%; 99%; 99.8%
• 级别: anhydrous; puriss.; purum
• 蒸发残渣: <0.0005%
• 杂质: <0.002% water; <0.005% water(100 mL pkg)
• 线性分子式: CH(OCH3)3

详细说明

MP Biomedicals - 02157078

1 ml = approx. 0.97 g

MP Biomedicals - 05211396

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 305472

包装
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - 108456

包装
20 L in steel drum
500 mL in glass bottle

参考文献

• For further reactions of alkyl orthoformates, see Triethyl orthoformate, A13587.
• Protects the cis-2,3-diol system of ribonucleosides as their methoxymethylene acetals (cyclic orthoformates), readily hydrolyzed by mild acid: Synthesis, 408 (1985).
• In the presence of HCl, is an alternative to formic acid in the synthesis of benzoxazoles from ortho-amino phenols: Org. Prep. Proced. Int., 22, 613 (1990).
• Reagent for the acid-catalyzed conversion of ketones to their methyl enol ethers in good yield: Synthesis, 38 (1974). For an example, see: Org. Synth. Coll., 8, 357 (1993).