CAS 108-29-2 MFCD00005400-gamma-Valerolactone (±)-γ-戊内酯 TAO{mole}

gamma-Valerolactone (±)-γ-戊内酯

CAS 108-29-2 MFCD00005400

化学结构图

SMILES: CC1CCC(=O)O1

化学属性

Mol. Formula	C5H8O2
Mol. Weight	100.12
Density	1.05
Refractive index	1.4310 to 1.4340
Vapor Density	3.45 (vs air)
Boiling Point	207-208°C at 760 mmHg
Melting Point	-31°C
Flash Point	96°C
TSCA	Yes
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 Name	gamma-Valerolactone
CAS Number	108-29-2
EC Number	203-569-5
Beilstein Registry Number	80420
MDL Number	MFCD00005400
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} g
PubChem Substance ID	87577807
Reaxys-RN	80420
Chemical Name Translation	(±)-γ-戊内酯
Wiswesser Line Notation	T5O CVTJ E1
LabNetwork Molecule ID	LN00192857
Canonical SMILES	O=C1OC(C)CC1

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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。

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)