CAS 88-09-5 MFCD00002670-Diethylacetic Acid 2-乙基丁酸 TAO{mole}

Diethylacetic Acid 2-乙基丁酸

CAS 88-09-5 MFCD00002670

化学结构图

SMILES: CCC(CC)C(=O)O

化学属性

Mol. Formula	C6H12O2
Mol. Weight	116.16
Density	0.92
Refractive index	1.4120 to 1.4140
Boiling Point	195.4°C at 760 mmHg
Vapor Pressure	0.08 mmHg ( 20 °C)
Melting Point	-14°C
Flash Point	88.4°C
TSCA	Yes
Solubility	18 G/L (20 ºC)

别名和识别编码

Chemical Name	Diethylacetic Acid
CAS Number	88-09-5
EC Number	201-796-4
Beilstein Registry Number	1098634
MDL Number	MFCD00002670
Synonym	2-Ethylbutyric acid {LY} 2-Ethylbutyric acid {} {LY} 2-Ethylbutyric acid {} {} {LY} 2-Ethylbutyric acid {} {} {} {LY} 2-Ethylbutyric acid {} {} {} {} {LY} 2-Ethylbutyric acid {} {} {} {} {} {LY} 2-Ethylbutyric acid {} {} {} {} {} {} {LY} 2-Ethylbutyric acid {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} 2-Ethylbutyric acid {} {} {} {} {} {} {} {} {LY} 2-Ethylbutyric acid {} {} {} {} {} {} {} {} {} {LY} 2-Ethylbutyric acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylbutyric acid {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID	87569382
Merck Number	3110
Chemical Name Translation	2-乙基丁酸
Reaxys-RN	1098634
Wiswesser Line Notation	QVY2&2
LabNetwork Molecule ID	LN00194073
Canonical SMILES	CCC(CC)C(O)=O

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产品应用

该品是制造酯类和染料的中间体，用作增塑剂、调味剂、干燥剂、表面覆涂剂、防腐剂和药物的原料，亦可用作化妆品的原料。该品是我国GB2760-86规定为允许使用的香料，主要用于配制草莓、干酪、坚果等型香精。

安全信息

Signal word Warning

GHS Symbol

WGK Germany1

Safety Statements

S20 When using do not eat or drink 使用时，不得进食，饮水；
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 Wear suitable protective clothing 穿戴适当的防护服；
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）；
S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；

Risk Statements

R21 Harmful in contact with skin 与皮肤接触有害
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

P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
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。
P273 Avoid release to the environment. 避免释放到环境中。
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+P350
P302+P352+P312+P361+P364
P305+P351+P338
P308+P313
P332+P313
P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H312 Harmful in contact with skin 皮肤接触有害
H335 May cause respiratory irritation 可能导致呼吸道刺激
H303 May be harmfully swallowed 吞食可能有害

Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

RTECSET1400000

Packing GroupIII

UN Number 2810

Hazard Codes 6.1 C Xn

Hazard Class6.1

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2200 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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 520 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

Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

MOL 文件:88-09-5.mol
用途二:GB 2760一96规定为允许使用的食品用香料。主要用于配制革莓、干酪、坚果等型香精。
海关编码:29159080
Alfa Aesar:2-乙基丁酸,98% 2-Ethylbutyric acid, 98%(88-09-5)
溶于醇及醚，在水中的溶解度（20℃）1.6%。水在本品中的溶解度（20℃）3.3%。
蒸气压:0.08 mm Hg ( 20 °C)
上游原料:甲酸 --> 2-乙基丁醛 --> 3-戊醇 --> 2-乙基-1-丁醇 --> 二乙基丙二酸
Sigma Aldrich:88-09-5(sigmaaldrich)
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） 2-乙基丁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
MSDS 信息:二乙基醋酸(88-09-5).msds
FEMA:2429
外观性质:无色液体。
下游产品:2-乙基丁胺 --> 2-乙基丁酸烯丙酯
方法二:1.2-乙基丁醇经氧化生成酸。2.3-戊醇在硫酸作用下与无水甲酸反应可得2-乙基丁酸。
图谱信息:2-乙基丁酸(88-09-5)核磁图( 1 HNMR) 2-乙基丁酸(88-09-5)Raman光谱 2-乙基丁酸(88-09-5)红外图谱(IR1) 2-乙基丁酸(88-09-5)质谱(MS) 2-乙基丁酸(88-09-5)核磁图( 13 CNMR) 2-乙基丁酸(88-09-5)红外图谱(IR2)
TCI Shanghai:2-乙基丁酸 2-Ethylbutyric Acid,>;98.0%(GC)(T)(88-09-5)
用途一:用于酯类制造，也用作染料中间体
2-乙基丁酸价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 E0070 2-乙基丁酸 2-Ethylbutyric Acid 25ML 163元 2014/06/02 E0070 2-乙基丁酸 2-Ethylbutyric Acid 500ML 565元 2010/06/21 149410050 2-乙基丁酸 2-Ethylbutyric acid 99% 5 GR 209元
用途三:该品是制造酯类和染料的中间体，用作增塑剂、调味剂、干燥剂、表面覆涂剂、防腐剂和药物的原料，亦可用作化妆品的原料。该品是我国GB2760-86规定为允许使用的香料，主要用于配制草莓、干酪、坚果等型香精。
Acros Organics:2-乙基丁酸 2-Ethylbutyric acid, 99%(88-09-5)
方法一:由二乙基乙醛催化氧化而成。由二乙基丙二酸经脱羧基反应而成。