CAS 868-57-5 MFCD00009335-Methyl 2-Methylbutyrate 2-甲基丁酸甲酯 TAO{mole}

Methyl 2-Methylbutyrate 2-甲基丁酸甲酯

CAS 868-57-5 MFCD00009335

化学结构图

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

化学属性

Mol. Formula	C6H12O2
Mol. Weight	116.16
Refractive index	1.3920 to 1.3950
Boiling Point	115 °C at 760 mmHg
Density	0.88 g/mL at 25 °C(lit.)
Flash Point	19.4±8.3 °C
TSCA	Yes
Appearance	天然品存在于苹果、欧洲越橘、甜瓜、菠萝蜜、草莓、豌豆、乳酪等中。几乎无色的液体。具有似苹果和朗姆酒似香甜味。闪点32.8℃，沸点115℃。溶于乙醇和大多数非挥发性油，不溶于水。
Melting Point	-91 °C

别名和识别编码

Chemical Name	Methyl 2-Methylbutyrate
CAS Number	868-57-5
PubChem Substance ID	13357
EC Number	212-778-0
Beilstein Registry Number	1720409
MDL Number	MFCD00009335
Reaxys-RN	1720409
Synonym	Methyl 2-methylbutyrate {LY} Methyl 2-methylbutyrate {} {LY} Methyl 2-methylbutyrate {} {} {LY} Methyl 2-methylbutyrate {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {}
Chemical Name Translation	2-甲基丁酸甲酯
LabNetwork Molecule ID	LN00226540
InChI	InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
Canonical SMILES	CCC(C)C(OC)=O

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分类

{Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
{SNA} Alcoholic & Nonalcoholic Beverages, All Alphabetically Sorted, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Animal Products, Apple, Apricot, Cheese, Chromatography, Dairy Products, Dill, Durian, Ester, Flavors and Fragrances, Food & Beverage Standards, Food Products & Beverages, Fruits, Grape, Herbs & Spices, Lemon, M, M-R, META - METH, Majoram,

安全信息

GHS Symbol

WGK Germany2

Hazard statements

H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
H226 Flammable liquid and vapour 易燃液体和蒸气

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

Signal word Warning

UN Number 3272

Precautionary statements

P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
P233 Keep container tightly closed. ?保持容器密闭。
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
P241+P242+P243
P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
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。
P303+P361+P353
P370+P378
P403+P235
P501 Dispose of contents/container to..… 处理内容物/容器.....

Risk Statements

R10 Flammable 易燃
R11 Highly flammable 非常易燃

Safety Statements

S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
S33 Take precautionary measures against static discharges 对静电采取预防措施；

Packing GroupIII

Hazard Class3

Hazard Codes 3

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

MSDS 信息:Methyl 2-methylbutyrate(868-57-5).msds
方法一:由异丁烯、一氧化碳和盖烷醇(或由异丁烯、一氧化碳和酸催化剂)在压力下制得含有2-甲基丁酸甲酯的混合酯类，然后再分馏而得。
用途二:可用于甜瓜、薄荷、草莓香精的调配。
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-甲基丁酸甲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
含量分析:按酯测定法(OT-18)中的方法一测定。所取试样量为0.9 g。计算中的当量因子(e)取58.08．或按气相色谱法(GT-10-4)中用非极性柱方法测定。
用途一:GB 2760—1996规定为允许使用的食用香料。主要用以配制苹果、热带水果、朗姆酒香精和提高水果型香精的香韵。
2-甲基丁酸甲酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 M0758 DL-2-甲基丁酸甲酯 Methyl DL-2-Methylbutyrate 25ML 213元 2010/05/25 L08103 2-甲基丁酸甲酯, 98% Methyl 2-methylbutyrate, 98% 25g 323元 2010/05/25 L08103 2-甲基丁酸甲酯, 98% Methyl 2-methylbutyrate, 98% 100g 798元
使用限量:FEMA(mg/kg)：软饮料5.0；冷饮10；糖果10；焙烤食品10。适度为限(FDA§172．515，2000)。
FEMA:2719
Alfa Aesar:2-甲基丁酸甲酯,98% Methyl 2-methylbutyrate, 98%(868-57-5)
香精香料应用:2-甲基丁酸甲酯又称为甲基乙基酯酸甲酯，英文名称为methyl 2-methyl butanoate 。天然存在于烤过的土豆、留兰香油、橄榄、灯笼果、苹果、欧洲越橘、甜瓜、菠萝蜜、草莓、豌豆、薄荷、乳酪中。香气特征：刺激性的水果的香气，醚香、带有蜜饯的冰淇淋、成熟的脂肪香、青香。味道描述：醚香、果香、新鲜生梨、热带水果香味、带有蜜饯的冰淇淋、浆果、成熟的菠萝蜜味，在低浓度时有甜的苹果样的味道。用于食用香精如苹果、带有蜜饯的冰淇淋、菠萝蜜、甜瓜、鸡蛋果、香蕉、热带水果型食品、托出新鲜醚香型的普通水果及日化香精的调配。
Sigma Aldrich:868-57-5(sigmaaldrich)
上游原料:一氧化碳 --> 异丁烯 --> 混合酯
参考质量标准:FCC，1996；FAO/WHO，1997 含量 ≥92.0% 折射率(n D 20 ) 1.393～1.397 相对密度(d 25 25 ) 0.879～0.883 酸值(OT-4) ≤2.0
TCI Shanghai:DL-2-甲基丁酸甲酯 Methyl DL-2-Methylbutyrate,>;98.0%(GC)(868-57-5)
MOL 文件:868-57-5.mol
毒性:GRAS(FEMA)。