CAS 110-38-3 MFCD00009581-Decanoic Acid Ethyl Ester 癸酸乙酯 -LabNovo

Decanoic Acid Ethyl Ester 癸酸乙酯

CAS 110-38-3 MFCD00009581

化学结构图

SMILES: CCCCCCCCCC(=O)OCC

化学属性

Mol. Formula	C12H24O2
Mol. Weight	200.32
Density	0.867
Vapor Density	6.9 (vs air)
Boiling Point	242.5 °C at 760 mmHg
Refractive index	1.4230 to 1.4270
Flash Point	123°C(lit.)
TSCA	Yes
Melting Point	-20 °C
Solubility	不溶于水、甘油、丙二醇，溶于乙醇、乙醚、氯仿。

别名和识别编码

Chemical Name	Decanoic Acid Ethyl Ester
CAS Number	110-38-3
EC Number	203-761-9
Beilstein Registry Number	1762128
MDL Number	MFCD00009581
Synonym	Ethyl decanoate {LY} Ethyl decanoate {} {LY} Ethyl decanoate {} {} {LY} Ethyl decanoate {} {} {} {LY} Ethyl decanoate {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID	87566776
Merck Number	3776
Reaxys-RN	1762128
Chemical Name Translation	癸酸乙酯
Wiswesser Line Notation	9VO2
InChI	InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
LabNetwork Molecule ID	LN00193812
Canonical SMILES	CCCCCCCCCC(OCC)=O

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产品应用

癸酸乙酯具有椰子香型香气，主要用于配制食用香精。

安全信息

Signal word Warning

GHS Symbol

WGK Germany2

Safety Statements

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

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

P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。

RTECSHD9420000

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)

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {}

其他信息

癸酸乙酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 D0022 癸酸乙酯 Ethyl Decanoate 25ML 167元 2014/06/02 D0022 癸酸乙酯 Ethyl Decanoate 500ML 698元 2010/06/21 165001000 癸酸乙酯 Ethyl caprate 99+% 100 ML 279元
用途一:GB 2760—96规定为允许使用的食品用香料。主要用于配制坚果、干酪、果酒、科涅克白兰地酒和朗姆酒等型香精。
上游原料:乙醇 --> 正癸酸
MOL 文件:110-38-3.mol
使用限量:FEMA(mg/kg)：软饮料2.1；冷饮4.5；糖果8.3；焙烤食品23；布丁类5.3；酒类3.0～10。适度为限(FDA§172．515，2000)。
Acros Organics:癸酸乙酯 Ethyl caprate, 99+%(110-38-3)
Alfa Aesar:癸酸乙酯,99% Ethyl decanoate, 99%(110-38-3)
方法二:由癸酸和乙醇按常规法酯化制得。
图谱信息:癸酸乙酯(110-38-3)核磁图( 13 CNMR) 癸酸乙酯(110-38-3)红外图谱(IR2) 癸酸乙酯(110-38-3)质谱(MS) 癸酸乙酯(110-38-3)核磁图( 1 HNMR) 癸酸乙酯(110-38-3)红外图谱(IR1) 癸酸乙酯(110-38-3)Raman光谱
MSDS 信息:癸酸乙酯(110-38-3).msds
FEMA:2432
外观性质:无色油状液体。
用途二:癸酸乙酯具有椰子香型香气，主要用于配制食用香精，与该品类似的脂肪族羧酸乙酯，例如辛酸乙酯、壬酸乙酯、月桂酸乙酯也用作香料。有时候商品月桂酸乙酯是指混合酯。辛酸（C8）、癸酸（C10）、月桂酸（C12）、肉豆蔻酸（C14）、棕榈酸（C16）以甘油酯的形式存在于椰子油中，其中月桂酸甘油酯的含量为45-51%。在硫酸存在下，使用乙醇和椰子油酸甘油酯进行酯交换反应，可得月桂酸乙酯，它用于配制香水香精、皂用香精、食用香精。
毒性:GRAS(FEMA)。
TCI Shanghai:癸酸乙酯 Ethyl Decanoate,>;98.0%(GC)(110-38-3)
海关编码:29159080
Sigma Aldrich:110-38-3(sigmaaldrich)
参考质量标准:FCC，1997 含量 ≥98.0% 折射率(n D 20 ) 1.424～1.427 相对密度(d 25 25 ) 0.862～0.867 酸值(OT-4) ≤1.0 醇中溶解度(GT-43) 1ml溶于4mL，80%乙醇
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）癸酸乙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
溶于乙醇、氯仿、乙醚，不溶于水。
蒸气密度:6.9 (vs air)
方法一:由癸酸和无水乙醇在盐酸或硫酸存在下酯化后蒸馏而得。
用途三:癸酸乙酯具有椰子香型香气，主要用于配制食用香精。
含量分析:准确称取试样约1.3g，按酯测定法(OT-18)中方法一进行。计算中的当量因子(e)取100.2。或按GT-10-4中用非极性柱方法测定。