39118-50-8

• 常用中文名：2-乙酰氧基乙基膦酸二甲酯
• 常用英文名：DIMETHYL 2-ACETOXYETHYLPHOSPHONATE
• CAS号：39118-50-8
• 分子式：C₆H₁₃O₅P
• 分子量：196.13800
• 发布时间：2018-09-01 19:17:01
• 更新时间：2024-01-02 15:59:22

名称

• 中文名: 2-乙酰氧基乙基膦酸二甲酯
• 英文名: 2-dimethoxyphosphorylethyl acetate
• 中文别名: [2-(乙酰基氧基)-乙基]-磷酸二甲酯
• 英文别名: 2-Acetoxyethanphosphonseauredimethylester; Dimethyl (2-acetoxyethyl)phosphonate; EINECS 254-301-9; (2-(Acetyloxy)ethyl)phosphonic acid dimethyl ester; Phosphonic acid,(2-(acetyloxy)ethyl)-,dimethyl ester; dimethyl 2-acetoxyethanephosphonate; 2-(dimethoxyphosphoryl)ethyl acetate; 2-acetoxyethanephosphonic acid dimethyl ester; 2-Dimethylphosphonoethyl acetate

物化性质

• 密度: 1.167 g/cm3
• 沸点: 260.4ºC at 760 mmHg
• 分子式: C₆H₁₃O₅P
• 分子量: 196.13800
• 闪点: 125.3ºC
• 精确质量: 196.05000
• PSA: 71.64000
• LogP: 1.03540
• 外观性状: 无色透明液体
• 折射率: 1.435-1.437
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：41.98

  2、 摩尔体积（m³/mol）：167.9

  3、 等张比容（90.2K）：407.0

  4、 表面张力（dyne/cm）：34.5

  5、 极化率（10 ^-24cm ³）：16.64

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-0.6

  2.氢键供体数量:0

  3.氢键受体数量:5

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积61.8

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:182

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：无可用

  2. 密度（g/mL,25/4℃）：1.21

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：无可用

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：1.435-1.437

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Name: Dimethyl 2-acetoxyethylphosphonate Material Safety Data Sheet Synonym: CAS: 39118-50-8 Section 1 - Chemical Product MSDS Name:Dimethyl 2-acetoxyethylphosphonate Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 39118-50-8 Dimethyl 2-acetoxyethylphosphonate 254-301-9 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 39118-50-8: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Clear liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 1 deg C ( 33.80 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.2165 Molecular Formula: C6H13O5P Molecular Weight: 196.0618 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 39118-50-8: SZ6477500 LD50/LC50: Not available. Carcinogenicity: Dimethyl 2-acetoxyethylphosphonate - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 39118-50-8: 1 Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 39118-50-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 39118-50-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 试验方法：腹腔 摄入剂量： 3100毫克/千克 测试对象：啮齿动物-鼠 毒性类型：急性 毒性作用： 详细的毒副作用没有报告以外的其他致死剂量值 生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : SZ6477500 CHEMICAL NAME : Phosphonic acid, (2-(acetyloxy)ethyl)-, dimethyl ester CAS REGISTRY NUMBER : 39118-50-8 BEILSTEIN REFERENCE NO. : 1777722 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C6-H13-O5-P MOLECULAR WEIGHT : 196.16 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 22,118,1988

安全

• 安全声明 (欧洲): S24/25
• 海关编码: 2931900090

合成路线

108-05-4 96-36-6 ~92% 39118-50-8

文献：Boutevin; Hervaud; Jeanmaire; Boulahna; Elasri Phosphorus, Sulfur and Silicon and Related Elements, 2001 , vol. 174, p. 1 - 14

108-05-4 868-85-9 ~87% 39118-50-8

文献：Brel', A. K.; Tyurenkov, I. N.; Strel'tsova, G. V.; Matyukhova, N. P.; Nazarenko, V. N.; Agarkova, N. S. Pharmaceutical Chemistry Journal, 1988 , vol. 22, # 2 p. 118 - 120 Khimiko-Farmatsevticheskii Zhurnal, 1988 , vol. 22, # 2 p. 167 - 170

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海关

海关编码	2931900090
中文概述	2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
Summary	2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%