7779-81-9

• 常用中文名：当归酸异丁酯
• 常用英文名：isobutyl angelate
• CAS号：7779-81-9
• 分子式：C₉H₁₆O₂
• 分子量：156.22200
• 相关类别： 香精与香料 合成香料 羧酸及酯类香料 脂肪族羧酸酯
• 发布时间：2018-04-22 08:00:00
• 更新时间：2024-01-09 13:39:38

名称

• 中文名: 当归酸异丁酯
• 英文名: 2-methyl-cis-crotonic acid isobutyl ester
• 中文别名: (Z)-2-甲基-2-丁酸-2-甲丙酯
• 英文别名: Isobutyl Angelate; ANGELIC ACID ISOBUTYL ESTER; ISO-BUTYL ANGELATE; EINECS 231-941-7; ISOBUTYL (2Z)-2-METHYLBUT-2-ENOATE; MFCD00063646

物化性质

• 密度: 0.877 g/mL at 25 °C(lit.)
• 沸点: 176-177 °C(lit.)
• 分子式: C₉H₁₆O₂
• 分子量: 156.22200
• 闪点: 140 °F
• 精确质量: 156.11500
• PSA: 26.30000
• LogP: 2.15180
• 折射率: n20/D 1.434(lit.)
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：45.37

  2、 摩尔体积（m³/mol）：174.3

  3、 等张比容（90.2K）：395.7

  4、 表面张力（dyne/cm）：26.5

  5、 极化率（10 ^-24cm ³）：17.98

• 更多:

  1. 性状：未确定

  2. 密度（g/mL 25ºC）：0.877

  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）：176-177

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率（n20/D）：1.434

  8. 闪点（ºC，）：140 °F

  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,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：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（25℃）：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(mg/mL)：未确定

MSDS

Section I.Chemical Product and Company Identification Chemical Name Angelic Acid Isobutyl Ester Portland OR SynonymIso-butyl Angelate Chemical FormulaCH3CH:C(CH3)COOCH2CH(CH3)2 CAS Number7779-81-9 Section II.Composition and Information on Ingredients Chemical NameCAS Number Percent (%)TLV/PELToxicology Data Angelic Acid Isobutyl Ester7779-81-9Min. 98.0 Not available.Not available. (GC) Section III. Hazards Identification Acute Health EffectsIrritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. CARCINOGENIC EFFECTS : Not available. Chronic Health Effects MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Section IV.First Aid Measures Eye ContactCheck for and remove any contact lenses. DO NOT use an eye ointment. Flush eyes with running water for a minimum of 15 minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and supportively. Skin ContactAfter contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin with running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. Cover the irritated skin with an emollient. Seek medical attention. Treat symptomatically and supportively. Wash any contaminated clothing before reusing. Evacuate the victim to a safe area as soon as possible. Loosen tight clothing such as a collar, tie, belt or waistband. If Inhalation breathing is difficult, administer oxygen. If the victim is not breathing, perform artificial respiration. WARNING: It may be dangerous to the person providing aid to give mouth-to-mouth resuscitation when the inhaled material is toxic, infectious or corrosive. Seek medical attention. Treat symptomatically and supportively. IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. Loosen tight clothing such as a collar, tie, belt, or waistband. If the victim is not breathing, administer artificial respiration. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material was ingested; the absence of such signs, however, is not conclusive. Seek immediate medical attention and, if possible, show the chemical label. Treat symptomatically and supportively. Section V. Fire and Explosion Data Not available. Auto-Ignition FlammabilityCombustible. Flammable Limits Flash PointsNot available. 59°C (138.2°F). Combustion ProductsThese products are toxic carbon oxides (CO, CO 2). Fire Hazards Slightly flammable to flammable in presence of open flames and sparks, of shocks, of heat. Explosion HazardsRisks of explosion of the product in presence of mechanical impact: Not available. Risks of explosion of the product in presence of static discharge: Not available. No additional information is available regarding the risks of explosion. Continued on Next Page Angelic Acid Isobutyl Ester Fire Fighting Media SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam. and InstructionsLARGE FIRE: Use water spray, fog or foam. DO NOT use water jet. Section VI.Accidental Release Measures Spill CleanupCombustible material. Irritating material. InstructionsKeep away from heat and sources of ignition. Mechanical exhaust required. Stop leak if without risk. Absorb with DRY earth, sand or other non-combustible material. DO NOT get water inside container. DO NOT touch spilled material. Use water spray curtain to divert vapor drift. Prevent entry into sewers, basements or confined areas; dike if needed. Eliminate all sources of ignition. Consult federal, state, and/or local authorities for assistance on disposal. Section VII. Handling and Storage Handling and StorageCOMBUSTIBLE. IRRITANT. Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool place. Avoid excessive heat and light. DO NOT ingest. Do not Information breathe gas, fumes, vapor or spray. In case of insufficient ventilation, wear suitable respiratory equipment. If ingested, seek medical advice immediately and show the container or the label. Treat symptomatically and supportively. Avoid contact with skin and eyes. Always store away from incompatible compounds such as oxidizing agents, alkalis (bases). Section VIII. Exposure Controls/Personal Protection Engineering ControlsProvide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location. Personal ProtectionSplash goggles. Lab coat. Vapor respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Exposure LimitsNot available. Section IX. Physical and Chemical Properties Physical state @ 20°CColorless liquid.Solubility Not available. 0.877 Specific Gravity Molecular Weight156.22Partition Coefficient Not available. Boiling Point176 to 177°CVapor PressureNot available. Not available.Not available. Melting PointVapor Density Not available.VolatilityNot available. Refractive Index Not available. Critical TemperatureNot available.Odor ViscosityNot available.TasteNot available. Section X.Stability and Reactivity Data Stability This material is stable if stored under proper conditions. (See Section VII for instructions) Conditions of Instability Avoid excessive heat and light. Incompatibilities Reactive with oxidizing agents, alkalis (bases). Section XI. Toxicological Information RTECS NumberNot available. Routes of ExposureEye contact. Inhalation. Ingestion. Skin contact. Not available. Toxicity Data Chronic Toxic EffectsCARCINOGENIC EFFECTS : Not available. MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Acute Toxic EffectsIrritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Continued on Next Page Angelic Acid Isobutyl Ester Section XII.Ecological Information EcotoxicityNot available. Environmental FateNot available. Section XIII. Disposal Considerations Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with Waste Disposal a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state, and local regulations when disposing of this substance. Section XIV. Transport Information DOT ClassificationDOT CLASS 3: Flammable liquid. PIN Number Proper Shipping Name Esters, n.o.s. Packing Group (PG)III DOT Pictograms Section XV. Other Regulatory Information and Pictograms TSCA Chemical InventoryThis compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list. (EPA) WHMIS Classification WHMIS CLASS B-3: Combustible liquid with a flash point between 37.8°C (100°F) and 93.3°C (200°F). WHMIS CLASS D-2A: Material causing other toxic effects (VERY TOXIC). (Canada) EINECS Number (EEC) 231-941-7 EEC Risk Statements R36/37/38- Irritating to eyes, respiratory system and skin. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36/37/39
• 危险品运输编码: UN 3272 3/PG 3
• WGK德国: 3
• 包装等级: III
• 海关编码: 2916190090

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海关

海关编码	2916190090
中文概述	2916190090 其他不饱和无环一元羧酸（包括其酸酐、酰卤化物，过氧化物和过氧酸以及它们的衍生物）。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%