CAS 2052-15-5 MFCD00009449-Butyl levulinate 乙酰丙酸丁酯 TAO{mole}

Butyl levulinate 乙酰丙酸丁酯

CAS 2052-15-5 MFCD00009449

化学结构图

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

化学属性

Mol. Formula	C9H16O3
Mol. Weight	172.22
Density	0.974 g/mL at 25 °C(lit.)
Refractive index	1.4270 to 1.4290
Boiling Point	240.3 °C at 760 mmHg
Flash Point	120°C(lit.)
TSCA	Yes
Appearance	无色或稻草黄色液体。呈甜的略有刺鼻似焦糖香气及淡粟香；有略甜的焦糖和草药的苦味。沸点238℃。微溶于水，溶于油脂、乙醇、乙醚、氯仿及其他有机溶剂。

别名和识别编码

Chemical Name	Butyl levulinate
Synonym	Butyl 4-oxopentanoate {LY} Butyl 4-oxopentanoate {} {LY} Butyl 4-oxopentanoate {} {} {LY} Butyl 4-oxopentanoate {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL Number	MFCD00009449
CAS Number	2052-15-5
PubChem Substance ID	16331
EC Number	218-143-4
Reaxys-RN	1768453
Beilstein Registry Number	3(4)1563
Chemical Name Translation	乙酰丙酸丁酯
LabNetwork Molecule ID	LN00195146
Canonical SMILES	CC(CCC(OCCCC)=O)=O
InChI	InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3

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安全信息

WGK Germany2

RTECSOI1695000

Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

Signal word

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H316 Causes mild skin irritation 会轻微的刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛

Precautionary statements

P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P264+P265
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
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P332+P313
P332+P317
P337+P313
P337+P317
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P362+P364

Hazard Codes Xi

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:
   21,655,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
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:
   21,655,1983

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

参考质量标准:FAO/WHO，1999 含量(GT-10-4) ≥97% 折射率(n D 20 ) 1.423～1.433 相对密度(d 25 25 ) 0.967~0.977
可燃性危险特性:热分解排出有毒辛辣刺激烟雾
毒性分级:低毒
Hazard Note:Irritant
Acros Organics:乙酰丙酸丁酯 Butyl levulinate, 98%(2052-15-5)
使用限量:FEMA(mg/kg)：饮料0.20～1.0；冷饮2.1；糖果、焙烤制品4.6。 FDA，§172．515(2000)：适量为限。
类别:有毒物质
毒性:GRAS(FEMA)
急性毒性:口服-大鼠 LD50: >; 5000 毫克/公斤
FEMA:2207
Sigma Aldrich:2052-15-5(sigmaaldrich)
用途一:食品用香料。
储运特性:库房通风低温干燥
TCI Shanghai:乙酰丙酸丁酯 Butyl Levulinate,>;98.0%(GC)(2052-15-5)
方法一:由乙酰丙酸与正丁醇在HCl存在下酯化而得。
MOL 文件:2052-15-5.mol
刺激数据:皮肤-兔 500 毫克/24小时轻度
上游原料:正丁醇 --> 乙酰丙酸
灭火剂:水, 二氧化碳, 干粉, 泡沫
乙酰丙酸丁酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 L0138 乙酰丙酸丁酯 Butyl Levulinate 500ML 792元 2014/06/02 L0138 乙酰丙酸丁酯 Butyl Levulinate 25ML 130元 2010/06/21 176905000 乙酰丙酸丁酯 Butyl levulinate 98% 500 ML 335元
MSDS 信息:Butyl levulinate(2052-15-5).msds
图谱信息:乙酰丙酸丁酯(2052-15-5)核磁图( 13 CNMR) 乙酰丙酸丁酯(2052-15-5)核磁图( 1 HNMR) 乙酰丙酸丁酯(2052-15-5)红外图谱(IR1) 乙酰丙酸丁酯(2052-15-5)质谱(MS)