926-06-7

• 常用中文名：甲磺酸异丙酯
• 常用英文名：Isopropyl methanesulfonate
• CAS号：926-06-7
• 分子式：C₄H₁₀O₃S
• 分子量：138.185
• 相关类别： 有机原料 无机酸酯
• 发布时间：2018-02-28 08:00:00
• 更新时间：2024-01-03 05:47:54

名称

• 中文名: 甲磺酸异丙酯
• 英文名: Isopropyl Methanesulfonate
• 英文别名: Isopropyl methanesulfonate; Methanesulfonic acid, 1-methylethyl ester; EINECS 213-132-0; 1-methylethyl methanesulfonate; propan-2-yl methanesulfonate

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 220.0±9.0 °C at 760 mmHg
• 熔点: 7°C(lit.)
• 分子式: C₄H₁₀O₃S
• 分子量: 138.185
• 闪点: 86.9±18.7 °C
• 精确质量: 138.035065
• PSA: 51.75000
• LogP: 0.31
• 外观性状: 透明无色液体
• 蒸汽压: 0.2±0.4 mmHg at 25°C
• 折射率: 1.422
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。远离腐蚀区。冷藏温度为4 ºC。

• 稳定性: 避免与不相容材料接触。 与强氧化剂反应。
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.4

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积51.8

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:139

  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：无色透明液体

  2. 密度（g/mL,25℃）：1.145

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,6mmHg）：82

  7. 折射率(n20/D)：1.418-1.421

  8. 闪点（ºC）：104

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,55ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Name: Isopropyl Methanesulfonate Material Safety Data Sheet Synonym: Methanesulfonic Acid, 1-Methylethyl Ester CAS: 926-06-7 Section 1 - Chemical Product MSDS Name:Isopropyl Methanesulfonate Material Safety Data Sheet Synonym:Methanesulfonic Acid, 1-Methylethyl Ester Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 926-06-7 Isopropyl Methane Sulphonate ca 100 213-132-0 Hazard Symbols: C Risk Phrases: 34 40 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns. Limited evidence of a carcinogenic effect.Corrosive. Potential Health Effects Eye: Causes eye burns. May cause chemical conjunctivitis and corneal damage. Skin: Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color. Ingestion: May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause systemic effects. Inhalation: Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. May cause systemic effects. Chronic: Effects may be delayed. Section 4 - FIRST AID MEASURES Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes). Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes. Ingestion: Call a poison control center. If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Extinguishing Media: Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Discard contaminated shoes. Storage: Store in a cool, dry place. Keep container closed when not in use. Corrosives area. Keep refrigerated. (Store below 4C/39F.) Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 926-06-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 82 deg C @ 6.00mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 104 deg C ( 219.20 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C4H10O3S Molecular Weight: 138.19 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, ignition sources, excess heat, strong oxidants. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 926-06-7: PB2275000 LD50/LC50: Not available. Carcinogenicity: Isopropyl Methane Sulphonate - 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 Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.* Hazard Class: 8 UN Number: 3261 Packing Group: III IMO Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. R 40 Limited evidence of a carcinogenic effect. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 28A After contact with skin, wash immediately with plenty of water. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 926-06-7: No information available. Canada CAS# 926-06-7 is listed on Canada's NDSL List. CAS# 926-06-7 is listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 926-06-7 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对环境有危害，对水体有污染，禁止进入水体。 CHEMICAL IDENTIFICATION RTECS NUMBER : PB2275000 CHEMICAL NAME : Methanesulfonic acid, isopropyl ester CAS REGISTRY NUMBER : 926-06-7 BEILSTEIN REFERENCE NO. : 1750157 LAST UPDATED : 199710 DATA ITEMS CITED : 46 MOLECULAR FORMULA : C4-H10-O3-S MOLECULAR WEIGHT : 138.20 WISWESSER LINE NOTATION : WS1&OY1&1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Bird - wild bird species DOSE/DURATION : 287 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 20200 mg/kg/60W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 11056 ug/kg/20W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Blood - lymphoma, including Hodgkin's disease TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1760 mg/kg/29W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - lymphoma, including Hodgkin's disease TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 50 mg/kg SEX/DURATION : female 16 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - germ cell effects (in offspring) Reproductive - Effects on Newborn - delayed effects TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 50 mg/kg SEX/DURATION : female 16 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - urogenital system TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 75 mg/kg SEX/DURATION : female 13 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - musculoskeletal system TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 50 mg/kg SEX/DURATION : male 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 50 mg/kg SEX/DURATION : male 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 50 mg/kg SEX/DURATION : female 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Fertility - other measures of fertility TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 50 mg/kg SEX/DURATION : male 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 100 mg/kg SEX/DURATION : male 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 200 mg/kg SEX/DURATION : male 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - cytological changes (including somatic cell genetic material) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous DOSE : 100 mg/kg SEX/DURATION : male 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) TYPE OF TEST : Specific locus test TYPE OF TEST : DNA damage TYPE OF TEST : Dominant lethal test TYPE OF TEST : Micronucleus test TYPE OF TEST : Micronucleus test TYPE OF TEST : Specific locus test TYPE OF TEST : Unscheduled DNA synthesis TYPE OF TEST : DNA inhibition TYPE OF TEST : Cytogenetic analysis TYPE OF TEST : Dominant lethal test TYPE OF TEST : Sperm Morphology MUTATION DATA TYPE OF TEST : Mutation in mammalian somatic cells TEST SYSTEM : Rodent - hamster Ovary DOSE/DURATION : 2 mmol/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 57,217,1978

安全

• 危害码 (欧洲): C: Corrosive;
• 风险声明 (欧洲): R68
• 安全声明 (欧洲): S26;S45;S36/S37/S39
• 危险品运输编码: UN 3265 8 / PGII
• RTECS号: PB2275000
• 包装等级: III
• 海关编码: 2905199090

合成路线

124-63-0 67-63-0 ~95% 926-06-7

文献：Willemsen, Jorgen S.; Van Hest, Jan C.M.; Rutjes, Floris P.J.T. Beilstein Journal of Organic Chemistry, 2013 , vol. 9, p. 960 - 965

186581-53-3 67-63-0 ~% 926-06-7

文献：Devekki, A. V.; Koshelev, Yu. V.; Malov, Yu. I. Journal of Organic Chemistry USSR (English Translation), 1983 , vol. 19, p. 829 - 834 Zhurnal Organicheskoi Khimii, 1983 , vol. 19, # 5 p. 935 - 941

75-75-2 187737-37-7 ~% 926-06-7

文献：Industrial and Engineering Chemistry, , vol. 40, p. 1129

683-60-3 124-63-0 ~% 926-06-7

文献：Canadian Journal of Chemistry, , vol. 35, p. 1319,1322

2404-05-9 67-63-0 ~0% 75-75-2 598-02-7 详细

文献：Phosphorus and Sulfur and the Related Elements, , vol. 18, p. 209 - 212

海关

海关编码	2905199090
中文概述	2905199090. 其他饱和一元醇. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 包装
Summary	2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%