Diethyl oxalate 草酸二乙酯

CAS 95-92-1 MFCD00009119

化学结构图

95-92-1
SMILES: CCOC(=O)C(=O)OCC

化学属性

Mol. FormulaC6H10O4
Mol. Weight146.14
Refractive index1.4090 to 1.4110
Boiling Point
Density1.076
Melting PointNo Data Available
Flash Point76°C(lit.)
TSCAYes
Vapor Density5.03 (vs air)
Vapor Pressure1 mmHg ( 47 °C)
SolubilityMAY DECOMPOSE

别名和识别编码

Chemical NameDiethyl oxalate
CAS Number95-92-1
PubChem Substance ID87574125
EC Number202-464-1
Beilstein Registry Number2(4)1848
MDL NumberMFCD00009119
Reaxys-RN606350
Merck Number3125
Synonym AKOS BBS-00004457 C2H5OCOCOOC2H5 DIETHYL ETHANEDIOATE DIETHYL OXALATE DIETHYL OXALATE, 99+% DIETHYL OXALATE, STANDARD FOR GC Diethyl Oxalate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation草酸二乙酯
Wiswesser Line Notation2OVVO2
LabNetwork Molecule IDLN00197393
InChIInChI=1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {SA} Alpha Sort, Alphabetic, Analytical Standards, Analytical/Chromatography, Chemical Class, Chromatography, D, DID - DIN, Environmental Standards, Esters, Food & Beverage Standards, Organic Acids, Volatiles/ Semivolatiles
  • {SNA} Alpha Sort, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chemical Class, Chromatography, D, DID - DIN, Environmental Standards, Esters, Flavors and Fragrances, Food & Beverage Standards,
  • {SNA} Building Blocks,

产品应用

  • 溶剂,有机合成,能从乙二酸盐均匀溶液中析出稀土及其他元素。

相关文献及参考

  • Merck: 14,3125 Beilstein: 2,IV,1848
  • Short: II/27B
  • With the benzylic phosphoranes, gives stereoselectively (Z)-3-aryl-2-ethoxyacrylates: Synthesis, 958 (1989).
  • Merck: 14,3125
  • Reaction with Grignard reagents at low temperatures gives ɑ-keto esters: Synth. Commun., 11, 943 (1981); Org. Prep. Proced. Int., 21, 501 (1989). Similarly, vinyl Grignards give 2-oxo-3-alkenoic acids: Synthesis, 564 (1988).
  • Base-promoted condensation with ketones, esters, nitriles, etc. yields ɑ-ethoxalyl derivatives, which with aldehydes, e.g. formaldehyde, yield ɑß-unsaturated compounds: J. Org. Chem., 42, 1180 (1977). Condensation with the activated methyl group of o-nitrotoluenes can lead to indole-2-carboxylic acid ethyl ester: Org. Synth. Coll., 5, 567 (1973), or to o-nitrophenylacetic acids which can be converted to indole-2-acetic acid esters: Org. Synth. Coll., 9, 601 (1998).

安全信息

GHS Symbol
WGK Germany1
Hazard Codes 6.1 T Xn
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
  • H372 Causes damage to organs through prolonged or repeated exposure 长期或频繁接触会损伤器官
  • H371 May cause damage to organs 可能导致器官损伤
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSRO2800000
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312+P330
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger Warning
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number 2525 UN 2525 6.1/PG 3 UN2525
Storage condition +4°C 4 4℃ Moisture Sensitive
Packing GroupIII
Hazard Class6.1
Warnings 危化品目录(2015)
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - antipsychotic
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 46(5),87,1981

Restrict 危险品

其他信息

  • 草酸二乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80049718 草酸二乙酯;乙二酸二乙酯; 草酸乙酯 500ml 53元 2011/08/23 80049728 草酸二乙酯;乙二酸二乙酯; 草酸乙酯 500ml 44元 2011/04/16 O0078 草酸二乙酯 Diethyl Oxalate 25G 124元
  • 可燃性危险特性:高热、明火可燃; 燃烧时放出刺激气体
  • 毒性分级:中毒
  • Acros Organics:草酸二乙酯 Diethyl oxalate, 99%(95-92-1)
  • Alfa Aesar:草酸二乙酯,99% Diethyl oxalate, 99%(95-92-1)
  • 敏感性:Moisture Sens
  • 有芳香气味。对湿敏感。化学性质较不稳定,在湿空气存在下能水解,生成草酸或酸性草酸乙酯。能与醇、醚和其他有机溶剂混溶,微溶于水而渐渐分解,有刺激性。
  • 用途四:二乙酸二乙酯主要用于医药工业,是苯巴比妥、硫唑嘌呤、周效磺胺、磺胺甲基噁唑、羧苯酯青霉素、乙哌氧氨苄青霉
  • Sigma Aldrich:95-92-1(sigmaaldrich)
  • MSDS 信息:乙二酸二乙酯(95-92-1).msds
  • 类别:有毒物品
  • 下游产品:5-(3-氯苯基)-1H-吡唑-3-羧酸 --> 3-苯基-1H-吡唑-5-甲酰胺 --> 5-甲基-3-异噁唑羧酸乙酯 --> 1-甲基-5-丙基-1H-吡唑-3-酰胺 --> 3-(4-甲氧苯基)-1H-吡唑-5-羧甲酰胺 --> 5-甲基-1H-吡唑-3-羧酸 --> 5-甲基-4-溴-1H-吡唑-3-羧酸 --> 色甘酸钠 --> 格列齐特 --> 3-(噻吩-2-基)-1H-吡唑-5-羧酸乙酯 --> 5-
  • 用途一:用作药物苯巴比妥、硫唑嘌呤、固效磺胺的中间体及塑料促进剂
  • 用途五:溶剂,有机合成,能从乙二酸盐均匀溶液中析出稀土及其他元素。
  • 下游产品:5-(3-氯苯基)-1H-吡唑-3-羧酸 --> 3-苯基-1H-吡唑-5-甲酰胺 --> 5-甲基-3-异噁唑羧酸乙酯 --> 1-甲基-5-丙基-1H-吡唑-3-酰胺 --> 3-(4-甲氧苯基)-1H-吡唑-5-羧甲酰胺 --> 5-甲基-1H-吡唑-3-羧酸 --> 5-甲基-4-溴-1H-吡唑-3-羧酸 --> 色甘酸钠 --> 格列齐特 --> 3-(噻吩-2-基)-1H-吡唑-5-羧
  • 常规方法:镀锌铁桶包装,规格200kg。按有毒化学品规定贮运。
  • 方法二:无水草酸与乙醇在
  • {Che
  • 用途二:用作纤维酯和醚的溶剂及萃取剂,也用于有机合成
  • 上游原料:乙醇 --> 甲醇 --> 甲苯 --> 草酸 --> 乙醇95%
  • MOL 文件:95-92-1.mol
  • 蒸气压:1 mm Hg ( 47 °C)
  • 方法一:其制备方法是将乙醇、苯、草酸加入
  • 储运特性:库房通风低温干燥; 与氧化剂、食品添加剂分开存放
  • 图谱信息:草酸二乙酯(95-92-1)核磁图( 1 HNMR) 草酸二乙酯(95-92-1)红外图谱(IR1) 草酸二乙酯(95-92-1)核磁图( 13 CNMR) 草酸二乙酯(95-92-1)Raman光谱 草酸二乙酯(95-92-1)质谱(MS)
  • 防护措施:本品有毒,在机体内易水解为酸和醇而造成较强的腐蚀性和刺激性。大鼠经口LD50为0.4~1.6g/kg。其突出症状为呼吸紊乱和肌肉颤动。应注意避免吸入蒸气和接触皮肤。
  • TCI Shanghai:草酸二乙酯 Diethyl Oxalate,>;99.0%(GC)(95-92-1)
  • 外观性质:无色油状液体,有芳香气味。
  • {Chemic
  • 用途三:草酸二乙酯是乙氰菊酯的中间体,也是医药中间体。

系列性分类


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