4-Pentynoic acid 4-戊炔酸

CAS 6089-09-4 MFCD00004407

化学结构图

6089-09-4
SMILES: C#CCCC(=O)O

化学属性

Mol. FormulaC5H6O2
Mol. Weight98.10
Density1.422
Boiling Point199.2°C at 760 mmHg
Melting Point54-57°C
Flash Point110°C
TSCANo
Appearance 无色透明液体
Refractive indexn20/D 1.428(lit.)

别名和识别编码

Chemical Name4-Pentynoic Acid
CAS Number6089-09-4
Alfabeta NamePENTYNOICACID 4-
MDL NumberMFCD00004407
EC Number228-028-0
Beilstein Registry Number1742047
Synonym 4-Pentynoic acid {LY} 4-Pentynoic acid 4-pentynoic acid {} {LY} 4-Pentynoic acid {} {} {LY} 4-Pentynoic acid {} {} {} {LY} 4-Pentynoic acid {} {} {} {} {LY} 4-Pentynoic acid {} {} {} {} {} {LY} 4-Pentynoic acid {} {} {} {} {} {} {LY} 4-Pentynoic acid {} {} {} {} {} {} {} {LY} 4-Pentynoic acid {} {} {} {} {} {} {} {} {LY} 4-Pentynoic acid {} {} {} {} {} {} {} {} {} {LY} 4-Pentynoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Pentynoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Pentynoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Pentynoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Pentynoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Pentynoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Pentynoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Pentynoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Pentynoic acid {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID22464
Chemical Name Translation4-戊炔酸
InChIKeyMLBYLEUJXUBIJJ-UHFFFAOYSA-N
Wiswesser Line NotationQV3UU1
Reaxys-RN1742047
LabNetwork Molecule IDLN00159724
InChIInChI=1S/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7)
Canonical SMILESC#CCCC(O)=O
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分类

  • {SNA} Building Blocks, C1 to C5, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香

产品应用

  • 通过双乙炔的关环复分解反应合成细胞毒性大环内酯。

安全信息

Warnings LIGHT SENSITIVE, AIR SENSITIVE, HYGROSCOPIC, CORROSIVE
Signal word Danger
GHS Symbol
WGK Germany3
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；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • 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）；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P234 Keep only in original container. 只保留在原来的容器中。
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • 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。
  • P301+P330+P331
  • P301+P330+P331+P310
  • P302+P361+P354
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • 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。
  • P316
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
  • P405 Store locked up. 上锁保管。
  • P406 Store in corrosive resistant/… container with a resistant inner liner. 存放在耐腐蚀/具有耐性的内衬容器。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECSSC4751000
Packing GroupII
UN Number 3261 UN 3261 8/PG 2
Storage condition 2-8°C {LY} 2-8°C Light & Air Sensitive & Hygroscopic Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}
Hazard Codes 8 C
Hazard Class8 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 28 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#12263

其他信息

  • 海关编码:29161980
  • 炔丙基脲价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 213730050 炔丙基脲 4-Pentynoic acid 98% 5 GR 2101元 2010/06/21 213730010 炔丙基脲 4-Pentynoic acid 98% 1 GR 558元 2010/05/25 L09282 4-戊酸, 98% 4-Pentynoic acid, 98% 5g 1848元
  • FEMA:2843
  • Sigma Aldrich:591-80-0(sigmaaldrich)
  • 参考质量标准:FAO/WHO，1998 含量(GT-10-4) ≥97.0% 折射率(n D 20 ) 1.425~1.431 相对密度(d 20 20 ) 0.970~0.990
  • 存储注意事项:空气敏感;氮气保护;光敏感
  • Sigma Aldrich:6089-09-4(sigmaaldrich)
  • TSCA:T
  • 毒性:GRAS(FEMA)。
  • 蒸气密度:>;1 (vs air)
  • MOL 文件:591-80-0.mol
  • MSDS 信息:Pent-4-enoic acid(591-80-0).msds
  • Hazard Note:Corrosive
  • Acros Organics:4-戊炔酸 4-Pentynoic acid, 98%(6089-09-4)
  • 在钯催化剂存在下与 1-溴-1-炔反应生成具有生物活性的炔烯醇内酯。
  • F:8-10-23
  • Alfa Aesar:4-烯戊酸,98% 4-Pentenoic acid, 98%(591-80-0)
  • MOL 文件:6089-09-4.mol
  • 4-戊烯酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0645 4-戊烯酸 4-Pentenoic Acid 25ML 709元 2010/06/21 269020250 4-戊烯酸 4-Pentenoic acid 99% 25 GR 859元 2010/06/21 269020050 4-戊烯酸 4-Pentenoic acid 99% 5 GR 270元
  • 上游原料:盐酸 --> 乙醚 --> 硫酸 --> 碳酸钠 --> 硫酸镁 --> 丙酮 --> 正己烷 --> 三氧化铬 --> 4-戊炔-1-醇
  • 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） 烯丙基乙酸 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
  • 使用限量:FEMA(mg/kg)：软饮料1.0；冷饮、人造奶油，2.0；糖果、焙烤制品，5.0。 FDA(§172．515，2000)：适度为限。
  • TCI Shanghai:4-戊烯酸 4-Pentenoic Acid,>;98.0%(GC)(T)(591-80-0)
  • Acros Organics:4-戊烯酸 4-Pentenoic acid, 99%(591-80-0)
  • Alfa Aesar:4-戊酸,98% 4-Pentynoic acid, 98%(6089-09-4)
  • 图谱信息:4-戊烯酸(591-80-0)质谱(MS) 4-戊烯酸(591-80-0)Raman光谱 4-戊烯酸(591-80-0)核磁图( 13 CNMR) 4-戊烯酸(591-80-0)核磁图( 1 HNMR) 4-戊烯酸(591-80-0)红外图谱(IR1)
  • 下游产品:氟氯菊酯

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  1. Chemical Synthesis 化学合成
  2. Chemical Biology 生物化学
  3. Conjugation Chemistry: Azides, Alkynes 共轭化学 (叠氮化物，炔烃等)
  4. Functionalized Alkynes 功能性炔烃
  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. Carboxylic Acids - 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. Carboxylic Acids - Carbonyl Compounds
  6. C1 to C5 - Carboxylic Acids
  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. Carboxylic Acids - Carbonyl Compounds
  6. C1 to C5 - Carboxylic Acids
  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. Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. ω-Functional Alkanols, Carboxylic Acids, Amines & Halides

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