CAS 106-70-7 MFCD00009510-Methyl Hexanoate 己酸甲酯 TAO{mole}

Methyl Hexanoate 己酸甲酯

CAS 106-70-7 MFCD00009510

化学结构图

SMILES: CCCCCC(=O)OC

化学属性

Mol. Formula	C7H14O2
Mol. Weight	130
Refractive index	1.4040 to 1.4070
Boiling Point	151
Density	0.885
Melting Point	-71
Flash Point	46°C(lit.)
TSCA	Yes
Solubility	不溶于水，溶于乙醇、乙醚。

别名和识别编码

Chemical Name	Methyl Hexanoate
Synonym	C6:0 METHYL ESTER C₇H₁₄O₂ (hexanoic acid methyl ester) CAPROIC ACID METHYL ESTER Caproic acid methyl ester Capronsäure-methylester FEMA 2708 HEXANOIC ACID METHYL ESTER Hexanoic acid methyl ester Hexansäure-methylester METHYL CAPROATE, STANDARD FOR GC METHYL N-CAPROATE Methyl caproate Methyl ester of hexanoic acid Methyl hexanoate Methyl hexylate Methyl n-hexanoate Methyl n-hexoate Methylcaproat Methylhexanoat methyl caproate methyl hexanoate 己酸甲基酯己酸甲基酯甲基己酸酯己酸甲酯正己酸甲酯
CAS Number	106-70-7
PubChem Substance ID	87575828
EC Number	203-425-1
Beilstein Registry Number	1744683
MDL Number	MFCD00009510
Reaxys-RN	1744683
Chemical Name Translation	己酸甲酯
LabNetwork Molecule ID	LN00194808
InChI	InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3

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分类

{SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Biochemicals and Reagents, Chromatography, FAMEs, Fatty Acids, Fatty Acyls, Fatty Esters, Food & Beverage Standards, Lipid Analytical Standards, Lipids, Lipids - FA/FAME/Oils/Sterols, M, META - METH, Methyl Esters, Neats & Single Component Solutions, Other Lipid Related Products
{SNA} Alphabetical Listings, Certified Natural Products, Flavors and Fragrances, Halal Certified Products, I-N,
{SNA} Building Blocks, C6 to C7, Carbonyl Compounds,

产品应用

气相色谱分析标准。有机合成。去垢剂、乳化剂、湿润剂等的中间体。

安全信息

GHS Symbol

WGK Germany1

Hazard statements

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

RTECSMO8401400

Signal word Warning

Safety Statements

S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；

Risk Statements

R10 Flammable 易燃
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

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
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
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
P305+P351+P338
P370+P378
P403+P235
P501 Dispose of contents/container to..… 处理内容物/容器.....

UN Number 3272

Packing GroupIII

Hazard Codes 3

Hazard Class3

Storage condition -20°C 密封阴凉保存。

Warnings 危化品目录(2015)

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 14 gm/m3/2H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,82,1982

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 11500 mg/m3
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 51(5),61,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
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:
   20,745,1982

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 48 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   RESJAS Journal of the Reticuloendothelial Society. (1964)  (Res: Journal of
   the Reticuloendothelial Society, New York)  V.1(1)-14(6), 1964-73.
   Volume(issue)/page/year: 3,250,1966

{hazard

Restrict 危险品

其他信息

MSDS 信息:正己酸甲酯(106-70-7).msds
MOL 文件:106-70-7.mol
毒性分级:低毒
溶于乙醇和乙醚，不溶于水。易燃。
上游原料:浓硫酸 --> 己酸 --> 椰子油 --> 油醇
储运特性:库房通风低温干燥; 与氧化剂分开存放
FEMA:2708
用途三:GB 2760--1996规定为允许使用的食用香料。主要用以配制菠萝和杏子等型香精。
己酸甲酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 S0304 己酸甲酯[标准物质] Methyl Hexanoate [Standard Material for GC] 5ML 1260元 2014/06/02 H0111 己酸甲酯 Methyl Hexanoate 500ML 832元 2014/06/02 H0111 己酸甲酯 Methyl Hexanoate 25ML 180元
图谱信息:己酸甲酯(106-70-7)核磁图( 1 HNMR) 己酸甲酯(106-70-7)Raman光谱己酸甲酯(106-70-7)红外图谱(IR1) 己酸甲酯(106-70-7)质谱(MS) 己酸甲酯(106-70-7)核磁图( 13 CNMR) 己酸甲酯(106-70-7)红外图谱(IR2)
使用限量:FEMA(mg/kg)：软饮料4.1；冷饮8.5；糖果5.3；焙烤食品20。适度为限(FDA§172．515，2000)。
方法一:由甲醇和己酸在浓硫酸存在下于130～140℃中酯化而成。由椰子油醇解而得。
TCI Shanghai:己酸甲酯[标准物质] Methyl Hexanoate [Standard Material],>;99.5%(GC)(106-70-7)
类别:易燃液体
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）己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
毒性:GRAS(FEMA)。
海关编码:29159080
用途四:气相色谱分析标准。有机合成。去垢剂、乳化剂、湿润剂等的中间体。
急性毒性:口服-大鼠 LD50: 5000 毫克/公斤; 吸入-小鼠 LD50: 14 克/立方米/2小时
灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
用途一:用于有机合成、食品工业，也用作气相色谱参比物及溶剂
Acros Organics:己酸甲酯 Methyl hexanoate, 98%(106-70-7)
用途二:用作香料和用于有机合成
外观性质:无色液体。
可燃性危险特性:遇明火、高温、氧化剂较易燃; 燃烧产生刺激烟雾
Alfa Aesar:己酸甲酯,99% Methyl hexanoate, 99%(106-70-7)
Sigma Aldrich:106-70-7(sigmaaldrich)