Allyl acetate 乙酸烯丙酯

CAS 591-87-7 MFCD00008721

化学结构图

591-87-7
SMILES: C=CCOC(C)=O

化学属性

Mol. FormulaC5H8O2
Mol. Weight100.12
Refractive indexn20/D 1.404(lit.)
Boiling Point
Density0.928
Melting PointNo Data Available
TSCAYes
Autoignition Point705 °F
Flash Point6.67°C
Solubility微溶于水,可混溶于乙醇、乙醚等。

别名和识别编码

Chemical NameAllyl acetate
CAS Number591-87-7
PubChem Substance ID11584
EC Number209-734-8
Beilstein Registry Number1742050
MDL NumberMFCD00008721
Synonym Allyl Acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Reaxys-RN1742050
Merck Number285
Chemical Name Translation乙酸烯丙酯
Wiswesser Line Notation1VO2U1
LabNetwork Molecule IDLN00222042
InChIInChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3
Canonical SMILESC=CCOC(C)=O
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • Allyl Monomers, Materials Science, Monomers, Polymer Science
  • {SNA} Allyl Monomers, Monomers, Polymer Science, 材料科学
  • {SNA} Allyl Monomers, Materials Science, Monomers, Polymer Science

产品应用

  • 生产甘油的中间体。用于有机合成。

相关文献及参考

  • Merck:14,285
  • Short: II/27B
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H301 Toxic if swallowed 吞食有毒
  • H312 Harmful in contact with skin 皮肤接触有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H330 Fatal if inhaled 吸入致命
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 3 F,T F;T
RTECSAF1750000
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施,防止静电放电。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P301+P310
  • P301+P310+P330
  • P301+P316
  • P301+P330+P331
  • P302+P352
  • P302+P352+P312+P362+P364
  • P302+P361+P354
  • P303+P361+P353
  • P304+P340
  • P304+P340+P311
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
  • P316
  • P317
  • P319
  • P320 Specific treatment is urgent (see … on this label). 紧急具体治疗(见本标签上的)。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P361+P364
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
UN Number 2333 UN 2333 3/PG 2 UN2333
Risk Statements
  • R11 Highly flammable 非常易燃
  • R21 Harmful in contact with skin 与皮肤接触有害
  • R23/25 Toxic by inhalation and if swallowed 吸入及吞食都有毒
  • R25 Toxic if swallowed 吞咽有毒
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
Packing GroupII
Hazard Class3/6.1
Storage condition +4°C 2-8°C 4 4℃ Refrigerator (+4°C) + Flammables area {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {
Warnings 危化品目录(2015)
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 130 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 31,60,1949

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1021 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 31,60,1949

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 170 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1000 ppm/1H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHAB AMA Archives of Industrial Health.  (Chicago, IL)  V.11-21, 1955-60.
   For publisher information, see AEHLAU.  Volume(issue)/page/year: 21,28,1960

Restrict 危险品

其他信息

  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量(g/kg) 最大允许残留量(g/kg) 乙酸烯丙酯 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放; 不宜久储, 以防聚合
  • Alfa Aesar:乙酸烯丙酯,99% Allyl acetate, 99%(591-87-7)
  • 急性毒性:口服- 大鼠 LD50: 130 毫克/ 公斤
  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 爆炸物危险特性:与空气混合可爆
  • 用途一:用作有机中间体
  • 易溶于醇和醚,能溶于丙酮,微溶于水。
  • 方法一:由丙烯、乙酸和氧在在水蒸气存在下反应,以乙酸钯为催化剂,于50-250℃进行气相反应。当反应温度在160℃时乙酸烯丙酯的空时收率为217g/L催化剂·h,乙酸转化率达99%,乙酸烯丙酯选取择性以丙烯计为94%。此反应亦可在二氧化碳存在下,以钯作催化剂(乙酸钯、乙酸镉和乙酸钾)于190℃、0.78MPa下,由丙烯、乙酸和氧制得,收率为91%。
  • 类别:易燃液体
  • 下游产品:丙烯醇
  • MSDS 信息:乙酸烯丙酯(591-87-7).msds
  • Sigma Aldrich:591-87-7(sigmaaldrich)
  • TCI Shanghai:乙酸-2-丙烯基酯 Allyl Acetate,>;98.0%(GC)(591-87-7)
  • 海关编码:29153990
  • 可燃性危险特性:遇明火、高温、氧化剂易燃; 燃烧产生刺激烟雾
  • Acros Organics:醋酸烯丙酯 Allyl acetate, 99%(591-87-7)
  • 职业标准:STEL 2 毫克/ 立方米
  • 上游原料:醋酸钯 --> 乙酸钾
  • 乙酸烯丙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0020 乙酸烯丙酯 Allyl Acetate 25ML 264元 2014/06/02 A0020 乙酸烯丙酯 Allyl Acetate 500ML 775元 2010/06/21 180651000 乙酸烯丙酯 Allyl acetate 99% 100 ML 362元
  • 图谱信息:乙酸烯丙酯(591-87-7)质谱(MS) 乙酸烯丙酯(591-87-7)红外图谱(IR1) 乙酸烯丙酯(591-87-7)Raman光谱 乙酸烯丙酯(591-87-7)核磁图( 13 CNMR) 乙酸烯丙酯(591-87-7)核磁图( 1 HNMR) 乙酸烯丙酯(591-87-7)红外图谱(IR2)
  • 毒性分级:高毒
  • 刺激数据:皮肤- 兔子 10 毫克/ 24小时 轻度; 眼睛- 兔子 100 毫克/ 24 小时 中度
  • MOL 文件:591-87-7.mol
  • 外观性质:无色液体。
  • 用途二:生产甘油的中间体。用于有机合成。

系列性分类


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