CAS 2035-99-6 MFCD00048917-Isoamyl octanoate辛酸异戊酯辛酸异戊酯 TAO{mole}

Isoamyl octanoate辛酸异戊酯辛酸异戊酯

CAS 2035-99-6 MFCD00048917

化学结构图

SMILES: CCCCCCCC(=O)OCCC(C)C

化学属性

Mol. Formula	C13H26O2
Mol. Weight	214.35
Refractive index	1.4240 to 1.4290
Boiling Point	248.9 °C at 760 mmHg
Density	0.861
Flash Point	85°C(lit.)
Appearance	天然品存在于香蕉、干酪、白兰地、朗姆酒、苹果酒、雪梨酒、白葡萄酒、苹果白兰地等中。无色液体。呈水果香味，稀释后呈白兰地似酒香。沸点267～268℃或136℃(1.3kPa)，闪点104℃。微溶于丙二醇，不溶于甘油和水。溶于乙醇。
Melting Point	-34.8 °C

别名和识别编码

Chemical Name	Isoamyl octanoate辛酸异戊酯
MDL Number	MFCD00048917
CAS Number	2035-99-6
Synonym	Isopentyl octanoate {LY} Isopentyl octanoate {} {LY} Isopentyl octanoate {} {} {LY} Isopentyl octanoate {} {} {} {LY} Isopentyl octanoate {} {} {} {} {LY} Isopentyl octanoate {} {} {} {} {} {LY} Isopentyl octanoate {} {} {} {} {} {} {LY} Isopentyl octanoate {} {} {} {} {} {} {} {LY} Isopentyl octanoate {} {} {} {} {} {} {} {} {LY} Isopentyl octanoate {} {} {} {} {} {} {} {} {} {LY} Isopentyl octanoate {} {} {} {} {} {} {} {} {} {} {LY} Isopentyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopentyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopentyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopentyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopentyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopentyl octanoate
PubChem Substance ID	87574048
EC Number	218-004-8
Reaxys-RN	1767760
Chemical Name Translation	辛酸异戊酯
Wiswesser Line Notation	7VO2Y1&1
Beilstein Registry Number	1767760
InChI	InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3
LabNetwork Molecule ID	LN00224272
Canonical SMILES	CCCCCCCC(OCCC(C)C)=O

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品牌质保精细包装现货库存一流品牌服务

安全信息

GHS Symbol

WGK Germany2

Hazard statements

H227 Combustible liquid 可燃液体
H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

RTECSRH0770000

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。
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。
P305+P351+P338
P332+P313
P370+P378
P403+P235
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Warning

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

Hazard Codes Xi

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

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: 17,827,1979

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: 17,827,1979

Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

参考质量标准:FAO/WHO，1997 含量(GT-10-4) ≥98.0% 酸值(OT-4) ≤1.0 折射率(n D 20 ) 1.425～1.429 相对密度(d 25 25 ) 0.855～0.861 醇中溶解度(OT-43) 1ml溶于7mL 80%乙醇
辛酸异戊酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 O0031 正辛酸异戊酯 Isoamyl n-Octanoate 25ML 217元
MOL 文件:2035-99-6.mol
毒性:GRAS(FEMA)。 LD 50 ＞5g kg(大鼠，经口)。
TCI Shanghai:辛酸3-甲基丁酯 Isoamyl n-Octanoate,>;97.0%(GC)(2035-99-6)
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）辛酸异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
上游原料:对甲苯磺酸 --> 异戊醇 --> 辛酸
方法一:以对甲苯磺酸为催化剂由辛酸与异戊醇在苯溶液中直接酯化而得。
Sigma Aldrich:2035-99-6(sigmaaldrich)
FEMA:2080
使用限量:FEMA(mg/kg)：软饮料6.6；冷饮5.1；糖果7.4；焙烤制品3.5；布丁类2.1。 FDA，§172．515：适量为限。
用途一:GB 2760-1996规定为允许使用的食品用香料。用于配制各种水果型香精及朗姆酒、白兰地等酒用香精。
辛酸异戊酯价格(试剂级):更新日期产品编号产品名称包装价格 2011/04/16 O0031 正辛酸异戊酯 Isoamyl n-Octanoate 25ML 218元