CAS 538-65-8 MFCD00051560-Butyl Cinnamate 肉桂酸丁酯 TAO{mole}

Butyl Cinnamate 肉桂酸丁酯

CAS 538-65-8 MFCD00051560

化学结构图

SMILES: CCCCOC(=O)C=Cc1ccccc1

化学属性

Mol. Formula	C13H16O2
Mol. Weight	204.27
Density	1.028
Refractive index	1.5420
Flash Point	90°(194°F)
TSCA	Yes
Boiling Point	143-144 °C at 12 mmHg

别名和识别编码

Chemical Name	Butyl Cinnamate
Synonym	N-Butyl cinnamate {LY} N-Butyl cinnamate {} {LY} N-Butyl cinnamate {} {} {LY} N-Butyl cinnamate {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL Number	MFCD00051560
CAS Number	538-65-8
EC Number	208-699-6
Merck Number	14,2299
Beilstein Registry Number	2328067
Chemical Name Translation	肉桂酸丁酯
Wiswesser Line Notation	4OV1U1R
LabNetwork Molecule ID	LN02139253
PubChem Substance ID	5273465
InChI	InChI=1S/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9+
Canonical SMILES	O=C(/C=C/C1=CC=CC=C1)OCCCC

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安全信息

RTECSGD8425000

Risk Statements

R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性

Safety Statements

S36 Wear suitable protective clothing 穿戴适当的防护服；
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；

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 :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 18,655,1980

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: 18,655,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 7 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APFRAD Annales Pharmaceutiques Francaises.  (SPPIF, B.P.22, F-41353 Vineuil,
   France)  V.1-    1943-  Volume(issue)/page/year: 14,370,1956

WGK Germany2

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 {} {} {} {} {} {} {} {} {} {} {}

其他信息

急性毒性:口服-大鼠 LD50: >; 5000 毫克/公斤; 口服-小鼠 LD50: 7000 毫克/公斤
Alfa Aesar:正丁基肉桂酸酯,98% n-Butyl cinnamate, 98%(538-65-8)
类别:有毒物质
参考质量标准:FAO/WHO，2001 含量(OT-18-1，当量因子e=102.14) ≥98% 酸值(OT-4) ≤1.0 折射率(n D 20 ) 1.539～1.545 相对密度(d 25 25 ) 1.008～1.014
毒性分级:低毒
FEMA:2192
肉桂酸丁酯价格(试剂级):更新日期产品编号产品名称包装价格 2010/05/25 L07362 正丁基肉桂酸酯, 98% n-Butyl cinnamate, 98% 50g 588元 2010/05/25 L07362 正丁基肉桂酸酯, 98% n-Butyl cinnamate, 98% 250g 2100元
灭火剂:水, 干粉, 二氧化碳, 泡沫
MOL 文件:538-65-8.mol
可燃性危险特性:热分解排出辛辣刺激烟雾
使用限量:FEMA(mg/kg)：饮料0.83；冰淇淋2.6；糖果和焙烤制品1.5；含醇饮料2.0。适量为限(FDA，§172．515，2001)。
刺激数据:皮肤-兔 500 毫克/24小时中度
储运特性:库房低温干燥通风
毒性:GRAS(FEMA)。