Propyl 2-phenylacetate 丙酸丙酯

CAS 106-36-5 MFCD00009373

化学结构图

106-36-5
SMILES: CCCOC(=O)CC

化学属性

Mol. FormulaC6H12O2
Mol. Weight116.16 g/mol
Refractive index1.3920 to 1.3950
Boiling Point121.9±3.0 °C at 760 mmHg
Density0.881
Melting Point-76°C
Flash Point24.44°C
TSCAYes
Vapor Density4 (vs air)
Appearance 无色液体,具有苹果、菠萝和香蕉等果香味。密 度 0.881 ,熔 点 -76°C ,沸 点 122-124°C ,折射率 1.393 , 闪 点 76°F

别名和识别编码

Chemical NamePropyl 2-phenylacetate
CAS Number106-36-5
PubChem Substance ID87574694
EC Number203-389-7
Beilstein Registry Number2(4)707
MDL NumberMFCD00009373
Reaxys-RN1699993
Merck Number7867
Synonym 1-prop 1-propylpropanoate N-PROPYL PROPIONATE PROPIONIC ACID N-PROPYL ESTER PROPIONIC ACID PROPYL ESTER PROPIONOIC ACID PROPYL ESTER PROPYLPROPANOATE Propanoic acid, propyl ester Propionic acid n-propyl ester Propionic acid, propyl ester Propionsäure-propylester Propionsäurepropylester Propyl 2-phenylacetate Propyl Propionate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation丙酸丙酯
Wiswesser Line Notation3OV2
LabNetwork Molecule IDLN00193464
InChIInChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
Canonical SMILESO=C(OCCC)CC1=CC=CC=C1
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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, Certified Food Grade Products, Flavors and Fragrances, Follows IFRA Guidelines, Food Safe Elite, Kosher Certified Products, N-P, O-P, O-Z
  • {SNA} Alphabetical Listings,
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Kosher Certified Products, O-P, O-Z
  • {SNA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances, Halal Certified Products,

产品应用

  • 溶剂。气相色谱分析标准。

相关文献及参考

  • Merck:14,7867
  • Merck:14,7867 Beilstein:2(4)707
  • Short: II/27B
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H332 Harmful if inhaled 吸入有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes
RTECSUF7100000
Signal word
Safety Statements
  • S24 Avoid contact with skin 避免皮肤接触;
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
  • R10 Flammable 易燃
  • R20 Harmful by inhalation 吸入有害
Precautionary statements
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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
  • 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。
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P337+P313
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P302+P352+P332+P313+P362+P364
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P303+P361+P353
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • P403+P235
  • P304+P340+P312
  • 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。
  • P305+P351+P338+P337+P313
  • P241+P242+P243
  • P233 Keep container tightly closed. ?保持容器密闭。
UN Number 3272
Packing GroupIII
Storage condition 2-8°C Flammables area 密封阴凉保存。
Hazard Class3
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >14128 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-
   1990-  Volume(issue)/page/year: 1,177,1992

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 10331 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - lacrimation
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - hypermotility, diarrhea
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-
   1990-  Volume(issue)/page/year: 1,175,1992

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 16900 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       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 3950 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IMSUAI Industrial Medicine and Surgery.  (Northbrook, IL)  V.18-42, 1949-73.
    For publisher info

其他信息

  • Alfa Aesar:丙酸正丙酯,99% n-Propyl propionate, 99%(106-36-5)
  • TCI Shanghai:丙酸丙酯 Propyl Propionate,>;98.0%(GC)(106-36-5)
  • 能与乙醇和乙醚混溶,微溶于水。易燃。半数致死量(兔,经口)3950mg/kg。有刺激性。水中溶解度:25 g/l (15°C)
  • 蒸气密度:4 (vs air)
  • 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) 丙酸丙酯 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
  • 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 ) 1.391~1.396 相对密度(d 25 25 ) 0.873~0.879 醇中溶解度(OT-4) 1ml溶于lmL95%乙醇
  • Acros Organics:丙酸丙酯 Propyl propionate, 98+%(106-36-5)
  • 丙酸正丙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30158917 丙酸正丙酯 250ml 147元 2011/04/16 P0511 丙酸丙酯 Propyl Propionate 25ML 128元 2011/04/16 P0511 丙酸丙酯 Propyl Propionate 500ML 729元
  • 使用限量:FEMA(mg/kg):软饮料6.0;冷饮12.0;糖果、焙烤制品,25.0。 FDA(§172.515,2000):适度为限。
  • 用途一:溶剂。气相色谱分析标准。
  • 图谱信息:丙酸正丙酯(106-36-5)质谱(MS) 丙酸正丙酯(106-36-5)红外图谱(IR2) 丙酸正丙酯(106-36-5)红外图谱(IR1) 丙酸正丙酯(106-36-5)核磁图( 13 CNMR) 丙酸正丙酯(106-36-5)Raman光谱 丙酸正丙酯(106-36-5)核磁图( 1 HNMR)
  • MOL 文件:106-36-5.mol
  • 毒性:GRAS(FEMA)。 LD50>5g/kg(大鼠,口授)。
  • FEMA:2958
  • Sigma Aldrich:106-36-5(sigmaaldrich)

系列性分类


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