gamma-Valerolactone (±)-γ-戊内酯

CAS 108-29-2 MFCD00005400

化学结构图

108-29-2
SMILES: CC1CCC(=O)O1

化学属性

Mol. FormulaC5H8O2
Mol. Weight100.12
Density1.05
Refractive index1.4310 to 1.4340
Vapor Density3.45 (vs air)
Boiling Point207-208°C at 760 mmHg
Melting Point-31°C
Flash Point96°C
TSCAYes
Solubility与水混溶,溶于醇、乙醚、酮、四氯化碳。
pH:A

别名和识别编码

Chemical Namegamma-Valerolactone
CAS Number108-29-2
EC Number203-569-5
Beilstein Registry Number80420
MDL NumberMFCD00005400
Synonym gamma-Valerolactone {LY} gamma-Valerolactone {} {LY} gamma-Valerolactone {} {} {LY} gamma-Valerolactone {} {} {} {LY} gamma-Valerolactone {} {} {} {} {LY} gamma-Valerolactone {} {} {} {} {} {LY} gamma-Valerolactone {} {} {} {} {} {} {} {} {} {} {} {} {LY} gamma-Valerolactone {} {} {} {} {} {} {} {LY} gamma-Valerolactone {} {} {} {} {} {} {} {} {LY} gamma-Valerolactone {} {} {} {} {} {} {} {} {} {LY} gamma-Valerolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} gamma-Valerolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} gamma-Valerolactone {} {} {} {} {} {} {} {} {} {} {} {} {LY} gamma-Valerolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} gamma-Valerolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} gamma-Valerolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} gamma-Valerolactone
PubChem Substance ID87577807
Reaxys-RN80420
Chemical Name Translation(±)-γ-戊内酯
Wiswesser Line NotationT5O CVTJ E1
LabNetwork Molecule IDLN00192857
Canonical SMILESO=C1OC(C)CC1
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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, Certified Natural Products, E-H, Flavors and Fragrances, Kosher Certified Products, Q-Z, R-Z
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E-H, Flavors and Fragrances,

产品应用

  • γ-戊内酯有较强的反应能力,可用作树脂溶剂及各种有关化合物的中间体。也用作润滑剂、增塑剂、非离子型表面活性剂的胶凝剂、加铅汽油的内酯类添加剂,用于纤维素酯和合成纤维的染色。γ-戊内酯具有香兰素和椰子香味。我国GB2760-86规定为允许使用的食用香料。主要用以配制桃、椰子、香草等型香精。

相关文献及参考

  • Short: II/19c
  • Short: II/19b
  • Short: II/14a
  • Beilstein:17,235

安全信息

Signal word 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;
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置;
Risk Statements
  • 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。
  • 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
  • P305+P351+P338
  • P332+P313
Hazard statements
  • H316 Causes mild skin irritation 会轻微的刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSLU3580000
Hazard Codes Xi
Storage condition 2-8°C {LY} 2-8°C 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} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2480 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 27,263,1945

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 :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,847,1982

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 2500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 76,189,1942

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 8800 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volum

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 24400 ppm
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 201,431,1988

其他信息

  • Acros Organics:delta-戊内酯 delta-Valerolactone, 99%(542-28-9)
  • Alfa Aesar:γ-戊内酯,98+% gamma-Valerolactone, 98+%(108-29-2)
  • {
  • 海关编码:29322980
  • gamma-戊内酯价格(试剂级):更新
  • 毒性:LD 50 8800mg/kg(大鼠,经口)。
  • 能与水、许多有机溶剂、树脂和蜡等混溶。10%水溶液的pH为4.2。
  • 蒸气密度:3.45 (vs air)
  • 方法二:由不饱和羧酸通过闭环反应来合成,例如乙酰乙酸与硫酸共热,或乙酰丙酸在镍、铜等催化剂存在下加氢。
  • TCI Shanghai:δ-戊内酯 delta-Valerolactone,>;98.0%(GC)(542-28-9)
  • MSDS 信息:delta-Valerolactone(542-28-9).msds
  • MOL 文件:108-29-2.mol
  • Hazard Note:Irritant/Keep Cold
  • MOL 文件:542-28-9.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) γ-戊内酯 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
  • 用途一:GB 2760--1996规定为允许使用的食用香料。主要用以配制桃、椰子、香草等型香精。
  • delta-戊内酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 V0039 δ-戊内酯 delta-Valerolactone 25G 380元 2014/06/02 V0039 δ-戊内酯 delta-Valerolactone 500G 2920元 2010/06/21 162712500 delta-戊内酯 delta-
  • 上游原料:乙酰氧基乙酸 --> 乙酰丙酸 --> 金属催化剂
  • 使用限量:FEMA(mg/kg):软饮料4.0;冷饮20;糖果50;焙烤食品50。
  • 含量分析:按酯测定法(OT-18)中的方法一测定。所取试样量为0.8g。计算中的当量因子(e)取50.06。 或按气相色谱法(GT-10-4)中用非极性柱方法测定。
  • Sigma Aldrich:108-29-2(sigmaaldrich)
  • S
  • 图谱信息:gamma-戊内酯(108-29-2)Raman光谱 gamma-戊内酯(108-29-2)核磁图( 1 HNMR) gamma-戊内酯(108-29-2)质谱(MS) gamma-戊内酯(108-29-2)核磁图( 13 CNMR) gamma-戊内酯(108-29-2)红外图谱(IR1) gamma-戊内酯(108-29-2)红外图谱(IR2)
  • TCI Shanghai:γ-戊内酯 gamma-Valerolactone,>;98.0%(GC)(108-29-2)
  • 外观性质:无色易流动液体。
  • Acros Organics:a-戊内酯 gamma-Valerolactone, 98%(108-29-2)
  • gamma-戊内酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 V0007 γ-戊内酯 gamma-Valerolactone 25G 1
  • 图谱信息:delta-戊内酯(542-28-9)红外图谱(IR2) delta-戊内酯(542-28-9)质谱(MS) delta-戊内酯(542-28-9)核磁图( 13 CNMR) delta-戊内酯(542-28-9)红外图谱(IR1) delta-戊内酯(542-28-9)核磁图( 1 HNMR)

系列性分类


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