Butyl Phenylacetate 苯乙酸丁酯

CAS 122-43-0 MFCD00048774

化学结构图

122-43-0
SMILES: CCCCOC(=O)Cc1ccccc1

化学属性

Mol. FormulaC6H5CH2CO2(CH2)3CH3
Mol. Weight192.25
Refractive indexn20/D 1.49(lit.)
Boiling Point133-135 °C/15 mmHg(lit.)
Density0.99 g/mL at 25 °C(lit.)
Flash Point>;230 °F
Appearance 无色至淡黄色液体，呈玫瑰和蜂蜜香气。沸点260℃，闪点74℃。溶于乙醇和油脂，几乎不溶于水。

别名和识别编码

Chemical NameButyl Phenylacetate
Synonym phenylethanoicacidbutylester {uni_hamburg} BUTYL PHENYLACETATE phenylacetic acid butyl ester butyl phenylacetate n-Butyl phenylacetate Butyl-α-toluat Benzeneaceticacid,butylester butylbenzeneacetate Butyl phenylacetate N-BUTYL PHENYLACETATE FEMA 2209 Acetic acid, phenyl-, butyl ester Phenylethanoic acid butyl ester 苯乙酸丁酯 Benzeneacetic acid, butyl ester BUTYL PHENYLACETATE 98+% FCC phenyl-aceticacibutylester Butyl phenyl acetate Butylphenylacetat 丁基苯乙酸酯 Butyl benzene acetate PHENYLACETIC ACID BUTYL ESTER 2-Phenylacetic acid butyl ester
MDL NumberMFCD00048774
CAS Number122-43-0
PubChem Substance ID31210
EC Number204-543-6
Chemical Name Translation苯乙酸丁酯
Beilstein Registry Number2046682
LabNetwork Molecule IDLN01359803
InChIInChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
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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料
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} A-B, A-D, Alphabetical Listings, Flavors and Fragrances, Kosher Certified Products
  • {SNA} A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Kosher Certified Products

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • 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 Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSAJ2480000
Precautionary statements
  • 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
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 Xn
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
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
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:
   21,657,1983

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:
   21,657,1983

其他信息

  • 毒性:ADI 5 mg/kg。
  • 储运特性:库房通风低温干燥
  • 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） 苯乙酸丁酯 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
  • 急性毒性:口服-大鼠 LD50: >; 5000 毫克/公斤
  • 上游原料:正丁醇 --> 苯乙酸
  • 毒性分级:低毒
  • Sigma Aldrich:122-43-0(sigmaaldrich)
  • MOL 文件:122-43-0.mol
  • 类别:有毒物质
  • 参考质量标准:FCC，1996 含量(气液色谱法，极性柱；GT-10) ≥98.0% 折射率(n D 20 ) 1.488~1.492 相对密度(d 25 25 ) 0.990~0.997 醇中溶解度(OT-43) lml溶于1mL 95%乙醇中 酸值(OT-4) ≤1.0
  • 灭火剂:水,干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 方法一:由苯乙酸和正丁醇在气态氯化氢存在下直接酯化而成。
  • 可燃性危险特性:热分解排出有毒氮氧化物烟雾
  • FEMA:2209
  • 刺激数据:皮肤-兔 500 毫克/24小时 轻度
  • 用途一:GB 2760—96规定为暂时允许使用的食甩香料。主要用于配制蜂蜜、果仁和什锦水果、焦椒巧克力、奶油等型香精。
  • 使用限量:FEMA(mg/kg)：软饮料0.5；冷催2.1；糖果4.5；焙烤食品4.6；布丁类5.0。 适度为限(FDA§172．515，2000)。

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. A-D - Kosher Certified Products

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