Levulinic acid 乙酰丙酸

CAS 123-76-2 MFCD00002796

化学结构图

123-76-2
SMILES: CC(=O)CCC(=O)O

化学属性

Mol. FormulaC5H8O3
Mol. Weight116.12
Density1.134
Boiling Point245-246°C at 760 mmHg
Vapor Pressure1 mmHg ( 102 °C)
Melting Point30-33°C
Refractive index1.442
Flash Point98°C
TSCAYes
Stability对光敏感
Appearance 白色片状结晶,有吸湿性。 易溶于水和醇、醚类有机溶剂。
Solubility易溶于水和醇、醚类有机溶剂。
pH:A

别名和识别编码

Chemical NameLevulinic acid
CAS Number123-76-2
Alfabeta NameOXOPENTANOICACID 4-
MDL NumberMFCD00002796
Synonym Levulinic acid {LY} Levulinic acid {} {LY} Levulinic acid {} {} {LY} Levulinic acid {} {} {} {LY} Levulinic acid {} {} {} {} {LY} Levulinic acid {} {} {} {} {} {LY} Levulinic acid {} {} {} {} {} {} {LY} Levulinic acid {} {} {} {} {} {} {} {LY} Levulinic acid {} {} {} {} {} {} {} {} {LY} Levulinic acid {} {} {} {} {} {} {} {} {} {LY} Levulinic acid {} {} {} {} {} {} {} {} {} {} {LY} Levulinic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Levulinic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Levulinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Levulinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Levulinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Levulinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Levulinic acid {} {} {} {} {} {} {} {} {} {} {} {}
EC Number204-649-2
Beilstein Registry Number506796
PubChem Substance ID11579
Merck Number5472
Chemical Name Translation乙酰丙酸
Reaxys-RN506796
Wiswesser Line NotationQV2V1
LabNetwork Molecule IDLN00175573
InChIInChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
Canonical SMILESCC(CCC(O)=O)=O
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分类

  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Follows IFRA Guidelines, Halal Certified Products, I - N, I-L, I-N, Kosher Certified Products,
  • {SNA} Alphabetical Listings, Certified
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I - N,
  • {SNA} Building Blocks, C1 to C5,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances, I-L, I-N, Kosher Certified Products, L-M
  • {SNA} Building Blocks,

产品应用

  • 生化研究。制造酯类和药物。叶绿素合成的抑制剂。

相关文献及参考

  • Merck: 14,5472
  • Merck: 14,5472 Beilstein:3,671
  • Short: III/35E
  • Short: III/38B
  • Short: IV/16
  • [1]. Pileidis FD, et al. Levulinic Acid Biorefineries: New Challenges for Efficient Utilization of Biomass. ChemSusChem. 2016 Mar 21;9(6):562-82.

安全信息

Warnings IRRITANT
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
  • 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。
  • 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+P312+P330
  • P301+P330+P331
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • 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。
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSOI1575000
Packing GroupIII
UN Number 3261
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 a
Hazard Codes 8 C Xn Xn,C
Hazard Class8
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1850 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,847,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,847,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 450 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD607-952

其他信息

  • 上游原料:淀粉 --> 稀盐酸 --> 糠醇 --> 糖醛 --> 糖醇
  • 乙酰丙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 C125142500 乙酰丙酸 250g 765元 2011/04/16 L0042 乙酰丙酸 Levulinic Acid 25G 117元 2011/04/16 L0042 乙酰丙酸 Levulinic Acid 500G 480元
  • Sigma
  • {Chemica
  • 用途三:该品的应用范围很广。乙酰丙酸即可作为羧酸又可作为酮发生反应,通过酯化、卤化、加氢、氧化脱氢、缩合等,制取各种产品,包括树脂、医药、香料、溶剂、涂料和油墨、橡胶和塑料助剂、润滑油添加剂、表面活性剂等。在医药工业中、其钙盐(果糖酸钙)可制静脉注射剂。作为营养药,有助
  • 含量分析:准确称取试样约1.0g,放入一含有75~100ml水的250ml三角烧瓶中,加酚酞试液,用0.5mol
  • 常规方法:采用塑料桶包装,外加木箱加固。贮存于阴凉、干燥、通风处。远离火源。按易燃化学品规定贮运。
  • 下游产品:6-甲基-3-氨基哒嗪 --> 吲哚美辛 --> 乙酰丙酸乙酯 --> 4,4'-偶氮双(4-氰基戊酸) --> gamma-戊内酯 --> A
  • 用途三:该品的应用范围很广。乙酰丙酸即可作为羧酸又可作为酮发生反应,通过酯化、卤化、加氢、氧化脱氢、缩
  • TCI Shanghai:乙酰丙酸 Levulinic Acid,>;97.0%(GC)(T)(123-76-2)
  • MOL 文件:123-76-2.mol
  • 图谱信息:乙酰丙酸(123-76-2)核磁图( 13 CNMR) 乙酰丙酸(123-76-2)质谱(MS) 乙酰丙酸(123-76-2)核磁图( 1 HNMR) 乙酰丙酸(123-76-2)红外图谱(IR1)
  • 下游产品:6-甲基-3-氨基哒嗪 --> 吲哚美辛 --> 乙酰丙酸乙酯 --> 4,4'-
  • 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) 乙酰丙酸 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
  • Acros Organics:4-氧代戊酸/乙
  • 蒸气压:1 mm Hg ( 102 °C)
  • 海关编码:29183000
  • 参考质量标准:FAO/WHO,1999 含量(GT-10-4) ≥97% 折射率(n D 20 ) 1.440~1.445 相对密度(d 25 25 ) 1.136~1.142 凝固点 ≥27℃ 醇中溶解度(OT-43) lml溶于lmL 95%乙醇
  • 对光敏感。有吸湿性。在常压下蒸馏几乎不分解,长时间
  • 用途三:该品的应用范围很广。乙酰丙酸即可作为羧酸又可作为酮发生反应,通过酯化、卤化、加氢、氧化脱氢、缩合等,制取各种产品,包括树脂、医药、香料、溶剂、涂料和油墨、橡胶和塑料助剂、润滑油添加剂、表面活性剂等。在医药工业中、其钙盐(果糖酸钙)可制静脉注射剂。作为营养药,有助于骨质的形成并维持神经和肌肉的正常兴奋性,还用于生产消炎痛、植物激素。乙酰丙酸
  • FEMA:2627
  • 方法一:棉子壳或玉米芯制糖醛后的残渣(糠醛渣)或废山芋渣用稀酸加压水解可制得乙酰丙酸。将糖醛渣加入10%稀盐酸中,其固化液为1:1.75,混合均匀后投入水解锅,以0.2MPa压力的蒸汽蒸煮8-10h。然后将水解后的稀液过滤、浓缩至浓度50%左右。再进行减压精馏,收集130℃(2.67kPa)以上馏分即得成品。原料消耗定额:山芋渣打7000kg/t、盐酸(折100%)1800kg/t。另一种制法由糖醇经重排、水解而制得。将4%的盐酸溶液加入反应锅,搅拌加热至97-100℃,缓缓加入糠醇、乙醇、水的混合液。加毕,再搅拌30min。过滤,滤液于80℃(2
  • 用途四:生化研究。制造酯类和药物。叶绿素合成的抑制剂。

系列性分类


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