Caprolactone ε-己内酯

CAS 502-44-3 MFCD00003267

化学结构图

502-44-3
SMILES: O=C1CCCCCO1

化学属性

Mol. FormulaC6H10O2
Mol. Weight114.14
Density1.03
Refractive index1.4620 to 1.4640
Vapor Density3.9 (vs air)
Boiling Point225.4±8.0°C at 760 mmHg
Vapor Pressure0.01 mmHg ( 20 °C)
Flash Point109°C
TSCAYes
Melting Point-18°C
Solubility>1000 MG/L (20 ºC)
Appearance 无色油状液体，具有芳香气味，不稳定，易燃，易聚合，加热成双聚物。沸点215-216℃，96-97.5（1.33kPa），98-99℃（266.644Pa），相对密度1.0693（20/4℃），折射率1.4495，燃点127℃，冰点-18℃。易与有机氮化物反应，贮存时不能与无机酸、有机酸、碱、酸性及碱性盐类、水以及水蒸气接触，也不能与铜锌接近。保存时需充氮气，并加入少量亚硝酸酯类稳定剂。

别名和识别编码

Chemical NameEpsilon-Caprolactone
Synonym Oxepan-2-one {LY} Oxepan-2-one caprolactone epsilon-caprolactone epsilon-captolactamium hydrogen sulfate {} {LY} Oxepan-2-one {} {} {LY} Oxepan-2-one {} {} {} {LY} Oxepan-2-one {} {} {} {} {LY} Oxepan-2-one {} {} {} {} {} {} {LY} Oxepan-2-one {} {} {} {} {} {} {} {LY} Oxepan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} Oxepan-2-one {} {} {} {} {} {} {} {} {} {LY} Oxepan-2-one {} {} {} {} {} {} {} {} {} {} {LY} Oxepan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oxepan-2-one {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oxepan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oxepan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oxepan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oxepan-2-one {} {} {} {} {} {} {} {} {} {}
CAS Number502-44-3
EC Number207-938-1
Beilstein Registry Number106919
MDL NumberMFCD00003267
PubChem Substance ID10401
Reaxys-RN106919
Chemical Name Translationε-己内酯
Wiswesser Line NotationT7OVTJ
LabNetwork Molecule IDLN00194814
InChIInChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
Canonical SMILESO=C1OCCCCC1
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分类

  • {SNA} Biodegradable Polymer Monomers, Building Blocks, Carbonyl Compounds, Chemical Synthesis, Lactones, Materials Science, Monomers, Organic Building Blocks, Polymer Science
  • {SNA} Biodegradable Polymer Monomers, Building Blocks, Carbonyl Compounds, Chemical Synthesis,
  • {SNA} 3D Printing Materials for Research and Development, Biodegradable Polymer Monomers, Building Blocks, Carbonyl Compounds, Chemical Synthesis, Lactone Monomers, Lactones, Monomers, Monomers and Polymerization Tools for 3D Printing, Organic Building Blocks, Polymer Science, 材料科学

产品应用

  • 用于制聚己内酯、ε-己内酰胺、胶粘剂、弹性体等。

相关文献及参考

  • Beilstein:17(2)290
  • Short: II/19b
  • Short: III/35E

安全信息

Signal word Danger Warning
GHS Symbol
WGK Germany2
Safety Statements
  • 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；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
Risk Statements
  • 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
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • 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。
  • P317
  • 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）。
  • P332+P313
  • P337+P313
  • P337+P317
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSMO8400000
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 62,911,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 5990 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 10,61,1954

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4290 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 10,61,1954

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 用途二:用于制聚己内酯、ε-己内酰胺、胶粘剂、弹性体等。
  • Acros Organics:ε-已内酯 epsilon-Caprolactone monomer, 99%(502-44-3)
  • 用途一:本品是新型聚酯单体，主要用于合成橡胶、合成纤维和合成树脂方面的生产；也用于制造己内酰胺、己二酸、粘合剂、涂料、环氧树脂稀释剂和溶剂；还可与各种树脂掺合改善其光泽、透明性和防粘性。
  • 上游原料:环己酮 --> 过氧乙酸 --> 臭氧
  • 蒸气压:0.01 mm Hg ( 20 °C)
  • TCI Shanghai:ε-己内酯 epsilon-Caprolactone,>;99.0%(GC)(502-44-3)
  • 6-己内酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0702 ε-己内酯 epsilon-Caprolactone 25ML 124元 2014/06/02 C0702 ε-己内酯 epsilon-Caprolactone 500ML 448元 2010/06/21 173440025 6-己内酯 epsilon-Caprolactone monomer 99% 2.5 KG 1215元
  • 图谱信息:6-己内酯(502-44-3)红外图谱(IR2) 6-己内酯(502-44-3)红外图谱(IR1) 6-己内酯(502-44-3)核磁图( 13 CNMR) 6-己内酯(502-44-3)质谱(MS) 6-己内酯(502-44-3)红外图谱(IR3)
  • 方法一:以乙醛为原料、乙酸乙酯为溶剂，经臭氧氧化制得过氧乙酸，再与环己酮反应制得粗品，粗己内酯经真空蒸馏即得合格产品。工业品含量ω-己内酯含量≥98%。环己酮在50℃和常压下用过乙酸氧化也可制得本品，选择性90%。原料消耗定额：己酮1500kg/t、乙醛3000kg/t、乙酸乙酸1000kg/t。
  • 易溶于水、乙醇、苯。不溶于石油醚。加热变成二聚体或高分子聚酯。在氯化镁存在下加热能解聚。
  • 蒸气密度:3.9 (vs air)
  • Alfa Aesar:己内酯,99% epsilon-Caprolactone, 99%(502-44-3)
  • MOL 文件:502-44-3.mol
  • 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） δ-己内酯 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
  • Sigma Aldrich:502-44-3(sigmaaldrich)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Lactones - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Lactams