CAS 540-07-8 MFCD00027281-Pentyl Hexanoate 己酸戊酯 TAO{mole}

Pentyl Hexanoate 己酸戊酯

CAS 540-07-8 MFCD00027281

化学结构图

SMILES: CCCCCOC(=O)CCCCC

化学属性

Mol. Formula	C11H22O2
Mol. Weight	186.29
Refractive index	1.4200 to 1.4240
Boiling Point	226 °C at 760 mmHg
Density	0.858
Flash Point	91°C(lit.)
Appearance	无色液体，呈香蕉和菠萝似香气。熔点-47℃，沸点226℃。溶于乙醇、丙二醇和非挥发性油，不溶于甘油和水。
Melting Point	-47 °C

别名和识别编码

Chemical Name	Pentyl Hexanoate
Synonym	Pentyl hexanoate {LY} Pentyl hexanoate {} {LY} Pentyl hexanoate {} {} {LY} Pentyl hexanoate {} {} {} {LY} Pentyl hexanoate {} {} {} {} {LY} Pentyl hexanoate {} {} {} {} {} {LY} Pentyl hexanoate {} {} {} {} {} {} {LY} Pentyl hexanoate {} {} {} {} {} {} {} {LY} Pentyl hexanoate {} {} {} {} {} {} {} {} {LY} Pentyl hexanoate {} {} {} {} {} {} {} {} {} {LY} Pentyl hexanoate {} {} {} {} {} {} {} {} {} {} {LY} Pentyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {LY} Pentyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentyl hexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL Number	MFCD00027281
CAS Number	540-07-8
PubChem Substance ID	10886
EC Number	208-732-4
Reaxys-RN	1760251
Beilstein Registry Number	1760251
Merck Number	605
Chemical Name Translation	己酸戊酯
LabNetwork Molecule ID	LN00227084
InChI	InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3
Canonical SMILES	CCCCCC(=O)OCCCCC

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安全信息

WGK Germany2

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)

RTECSMO8421700

Signal word

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H227 Combustible liquid 可燃液体

Precautionary statements

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

GHS Symbol

Safety Statements

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；

Hazard Codes Xi

Risk Statements

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

Packing GroupⅢ

UN Number

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:
   26,285,1988

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:
   26,285,1988

Storage condition

其他信息

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）己酸戊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
MOL 文件:540-07-8.mol
毒性:可安全用于食品(FDA，§172．515，2000)。
方法一:由己酸和戊醇在苯溶液中用甲苯磺酸催化酯化而成。
TCI Shanghai:己酸戊酯 Amyl Hexanoate,>;98.0%(GC)(540-07-8)
图谱信息:己酸戊酯(540-07-8)核磁图( 13 CNMR) 己酸戊酯(540-07-8)Raman光谱己酸戊酯(540-07-8)红外图谱(IR1) 己酸戊酯(540-07-8)质谱(MS) 己酸戊酯(540-07-8)核磁图( 1 HNMR)
使用限量:FEMA(mg/kg)：胶冻和布丁，0.3～3.7；软饮料5.3；冷饮6.0；焙烤食品8.3；糖果22；胶姆糖110。
上游原料:对甲苯磺酸 --> 己酸 --> 戊醇
己酸戊酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 H0106 己酸戊酯 Amyl Hexanoate 500ML 1540元 2014/06/02 H0106 己酸戊酯 Amyl Hexanoate 25ML 163元
FEMA:2074
Sigma Aldrich:540-07-8(sigmaaldrich)
用途一:GB 2760--1996规定为允许使用的食品用香料。
参考质量标准:FAO/WHO，1997 含量(GT-10-4) ≥98.0% 折射率(n D 20 ) 1.418～1.422 相对密度(d 25 25 ) 0.858~0.863 醇中溶解度(GT-43) lml溶于lmI80%乙醇