Isoamyl octanoate辛酸异戊酯 辛酸异戊酯

CAS 2035-99-6 MFCD00048917

化学结构图

2035-99-6
SMILES: CCCCCCCC(=O)OCCC(C)C

化学属性

Mol. FormulaC13H26O2
Mol. Weight214.35
Refractive index1.4240 to 1.4290
Boiling Point248.9 °C at 760 mmHg
Density0.861
Flash Point85°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 NameIsoamyl octanoate辛酸异戊酯
MDL NumberMFCD00048917
CAS Number2035-99-6
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 ID87574048
EC Number218-004-8
Reaxys-RN1767760
Chemical Name Translation辛酸异戊酯
Wiswesser Line Notation7VO2Y1&1
Beilstein Registry Number1767760
InChIInChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3
LabNetwork Molecule IDLN00224272
Canonical SMILESCCCCCCCC(OCCC(C)C)=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} Alphabetical Listings,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances, H-J, Halal Certified Products, I - N, I-L
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, H-

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

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Certified Food Grade Products - Flavors and Fragrances
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. I-L - Alphabetical Listings

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