27817-67-0

• 常用中文名：烯丙基二硫化物
• 常用英文名：Allyl Propyl Sulfide
• CAS号：27817-67-0
• 分子式：C₆H₁₂S
• 分子量：116.225
• 发布时间：2018-06-05 08:00:00
• 更新时间：2024-01-02 17:45:33

名称

• 中文名: 烯丙基丙基硫醚
• 英文名: 1-prop-2-enylsulfanylpropane
• 中文别名: 3-(丙基硫代)-1-丙烯; 烯丙基-N-丙基硫醚; 烯丙基-n-丙基硫醚; 烯丙基二硫化物
• 英文别名: 1-Propene, 3- (propylthio)-; MFCD00015220; EINECS 248-673-1; 3-(Propylsulfanyl)-1-propene; prop-2-en-1-yl propyl sulfide; 3-(Propylsulfanyl)prop-1-ene; allyl-n-propyl suldide; Allyl-propyl-sulfid; Allyl n-propyl sulfide; 3-propylsulfanyl-propene; Allyl Propyl Sulfide; Propyl allyl sulfide; 1-Propene, 3-(propylthio)-; 4-thia-1-heptene; Sulfide,allyl propyl

物化性质

• 密度: 0.9±0.1 g/cm3
• 沸点: 141.1±9.0 °C at 760 mmHg
• 分子式: C₆H₁₂S
• 分子量: 116.225
• 闪点: 30.1±15.4 °C
• 精确质量: 116.065971
• PSA: 25.30000
• LogP: 2.74
• 外观性状: 液体;Colorless to Light yellow clear liquid
• 蒸汽压: 7.4±0.3 mmHg at 25°C
• 折射率: 1.462
• 储存条件: 室温
• 稳定性:

  1. 存在于烟气中。

• 分子结构:

  1、 摩尔折射率：37.56

  2、 摩尔体积（cm³/mol）：136.6

  3、 等张比容（90.2K）：310.5

  4、 表面张力（dyne/cm）：26.6

  5、 极化率（10^-24cm³）：14.89

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.4

  2.氢键供体数量:0

  3.氢键受体数量:1

  4.可旋转化学键数量:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积25.3

  7.重原子数量:7

  8.表面电荷:0

  9.复杂度:41.4

  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：未确定

  2. 密度（g/mL,25/4℃）：0.87

  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）：141

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：30.1

  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,20ºC）：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：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

SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers Product name: ALLYL PROPYL SULFIDE 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.: 27817-67-0 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 The product does not need to be labelled in accordance with EC directives or respective national laws. Other hazards - none SECTION 3: Composition/information on ingredients Substances Formula: C6H12S Molecular Weight: 116,23 g/mol CAS-No.: 27817-67-0 No components need to be disclosed according to the applicable regulations. SECTION 4: First aid measures Description of first aid measures General advice Consult a physician. Show this safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. 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. Consult a physician. 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, Sulphur 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. Ensure adequate ventilation. For personal protection see section 8. Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. 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 Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. 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 Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. 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 no data available boiling range g) Flash pointno data available 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 densityno data available n) Water solubilityno data available o) Partition coefficient: n- log Pow: 2,837 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 To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. 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 Toxic to aquatic life. no data available SECTION 13: Disposal considerations Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. 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 This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment For this product a chemical safety assessment was not carried out SECTION 16: Other information Further information Copyright 2013 Co. LLC. License granted to make unlimited paper copies for internal use only. The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Corporation and its Affiliates shall not be held liable for any damage resulting from handling or from contact with the above product. See and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

安全

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36/37/39

合成路线

58725-93-2 ~49% 27817-67-0

文献：Lu, Xiyan; Ni, Zhijie Synthesis, 1987 , # 1 p. 66 - 68

109384-46-5 ~54% 27817-67-0

文献：Lu, Xiyan; Ni, Zhijie Synthesis, 1987 , # 1 p. 66 - 68

107-03-9 127699-25-6 ~83% 27817-67-0

文献：Musorin, G. K.; Amosova, S. V.; Kovaleva, T. V. Russian Journal of Organic Chemistry, 1993 , vol. 29, # 7.2 p. 1242 Zhurnal Organicheskoi Khimii, 1993 , vol. 29, # 7 p. 1493 - 1494

106-95-6 ~% 27817-67-0

文献：Farmer; Shipley Journal of the Chemical Society, 1947 , p. 1531

74-96-4 870-23-5 ~% 27817-67-0

文献：Deryagina; Korchevin; Russavskaya; Grabel'nykh Russian Chemical Bulletin, 1998 , vol. 47, # 9 p. 1827 - 1829

上下游产品

上游产品  7
58725-93-2 109384-46-5 107-03-9 127699-25-6
106-95-6 74-96-4 870-23-5
下游产品  1
107-03-9