36878-91-8

• 常用中文名：β-氧代-3-呋喃丙酸乙酯
• 常用英文名：Ethyl 3-(3-furyl)-3-oxopropanoate
• CAS号：36878-91-8
• 分子式：C₉H₁₀O₄
• 分子量：182.173
• 发布时间：2018-06-03 08:00:00
• 更新时间：2024-01-05 19:42:44
• 下载msds

名称

• 中文名: Β-氧代-3-呋喃丙酸乙酯
• 英文名: Ethyl 3-(furan-3-yl)-3-oxopropanoate
• 中文别名: b-氧代-3-呋喃丙酸乙酯; β-氧代-3-呋喃丙酸乙酯
• 英文别名: ETHYL 3-OXO-3-(FURAN-3-YL)PROPANOATE; Ethyl beta-oxo-3-furanpropionate; 3-Furanpropanoic acid, β-oxo-, ethyl ester; Ethyl 3-(3-furyl)-3-oxopropanoate; MFCD00011566; ethyl 3-(furan-3-yl)-3-oxopropanoate

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 268.0±0.0 °C at 760 mmHg
• 分子式: C₉H₁₀O₄
• 分子量: 182.173
• 闪点: 99.3±20.4 °C
• 精确质量: 182.057907
• PSA: 56.51000
• LogP: 1.02
• 外观性状: 无色至黄色液体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.476
• 储存条件: 室温，干燥密封
• 分子结构:

  1、 摩尔折射率：44.25

  2、 摩尔体积（cm³/mol）：156.7

  3、 等张比容（90.2K）：390.5

  4、 表面张力（dyne/cm）：38.5

  5、 极化率：17.54

  6、 介电常数：未确定

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.1

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:5

  5.互变异构体数量:3

  6.拓扑分子极性表面积56.5

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:200

  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

MSDS

SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers : Ethyl β-oxo-3-furanpropionate Product name REACH No.: A registration number is not available for this substance as the substance or its uses are exempted from registration, the annual tonnage does not require a registration or the registration is envisaged for a later registration deadline. CAS-No.: 36878-91-8 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances SECTION 2: Hazards identification Classification of the substance or mixture Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008. This substance is not classified as dangerous according to Directive 67/548/EEC. Label elements Other hazards - none SECTION 3: Composition/information on ingredients Substances Formula: C9H10O4 Molecular Weight: 182,17 g/mol CAS-No.: 36878-91-8 No components need to be disclosed according to the applicable regulations. SECTION 4: First aid measures Description of first aid measures If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. In case of skin contact Wash off with soap and plenty of water. In case of eye contact Flush eyes with water as a precaution. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Most important symptoms and effects, both acute and delayed The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in section 11 Indication of any immediate medical attention and special treatment needed no data available SECTION 5: Firefighting measures Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available SECTION 6: Accidental release measures Personal precautions, protective equipment and emergency procedures Avoid breathing vapours, mist or gas. For personal protection see section 8. Environmental precautions Do not let product enter drains. Methods and materials for containment and cleaning up Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. SECTION 7: Handling and storage Precautions for safe handling Normal measures for preventive fire protection. For precautions see section 2.2. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Specific end use(s) A part from the uses mentioned in section 1.2 no other specific uses are stipulated SECTION 8: Exposure controls/personal protection Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls General industrial hygiene practice. Personal protective equipment Eye/face protection Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection impervious clothing, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Respiratory protection not required. For nuisance exposures use type OV/AG (US) or type ABEK (EU EN 14387) respirator cartridges. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Control of environmental exposure Do not let product enter drains. SECTION 9: Physical and chemical properties Information on basic physical and chemical properties a) AppearanceForm: liquid b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingno data available point f) Initial boiling point and 113 - 116 °C at 5 hPa - lit. boiling range g) Flash point> 113,00 °C - closed cup h) Evapouration rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative density1,153 g/mL at 25 °C n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Auto-ignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available SECTION 10: Stability and reactivity Reactivity no data available Chemical stability Stable under recommended storage conditions. Possibility of hazardous reactions no data available Conditions to avoid no data available Incompatible materials Strong oxidizing agents Hazardous decomposition products Other decomposition products - no data available In the event of fire: see section 5 SECTION 11: Toxicological information Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitisation no data available Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Additional Information RTECS: Not available SECTION 12: Ecological information Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment PBT/vPvB assessment not available as chemical safety assessment not required/not conducted Other adverse effects no data available SECTION 13: Disposal considerations Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging Dispose of as unused product. SECTION 14: Transport information UN number ADR/RID: -IMDG: -IATA: - UN proper shipping name ADR/RID: Not dangerous goods IMDG: Not dangerous goods IATA:Not dangerous goods Transport hazard class(es) ADR/RID: -IMDG: -IATA: - Packaging group ADR/RID: -IMDG: -IATA: - Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available SECTION 15 - REGULATORY INFORMATION N/A SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 个人防护装备: Eyeshields;Gloves
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2932190090

合成路线

614-98-2 141-78-6 ~% 36878-91-8

文献：Matsuura Nippon Kagaku Zasshi, 1957 , vol. 78, p. 389,394 Chem.Abstr., 1959 , p. 21861 Full Text Show Details Kubota; Matsuura Journal of the Chemical Society, 1958 , p. 3667,3670 Full Text Show Details Kubota; Ichikawa Nippon Kagaku Zasshi, 1954 , vol. 75, p. 450,451, 455 Chem.Abstr., 1955 , p. 10261

488-93-7 ~% 36878-91-8

文献：Kubota; Matsuura Journal of the Chemical Society, 1958 , p. 3667,3670

26214-65-3 141-97-9 ~% 36878-91-8

文献：Wul'fson; Koltschin Zhurnal Obshchei Khimii, 1959 , vol. 29, p. 3760; engl. Ausg. S. 3719

26214-65-3 141-78-6 ~% 36878-91-8

文献：Hughes, Mark J.; Thomas, Eric J. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1993 , # 13 p. 1493 - 1506

海关

海关编码	2932190090
中文概述	2932190090 其他结构上有非稠合呋喃环化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%