Phenylacetic Acid Isoamyl Ester 苯乙酸异戊酯

CAS 102-19-2 MFCD00026517

化学结构图

102-19-2
SMILES: CC(C)CCOC(=O)Cc1ccccc1

化学属性

Mol. FormulaC13H18O2
Mol. Weight206.29 g/mol
Refractive index1.4850 to 1.4870
Boiling Point274.8 °C at 760 mmHg
Density0.98
Flash Point136°C(lit.)

别名和识别编码

Chemical NamePhenylacetic Acid Isoamyl Ester
MDL NumberMFCD00026517
CAS Number102-19-2
Synonym 3-Methylbutylphenylacetat Acetic acid, phenyl-, isopentyl ester Benzeneacetic acid, 3-methylbutyl ester Isoamyl Phenylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID7600
EC Number203-012-6
Reaxys-RN1951778
Chemical Name Translation苯乙酸异戊酯
Wiswesser Line Notation1Y12OV1R
Beilstein Registry Number1951778
InChIInChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
LabNetwork Molecule IDLN00235998
Canonical SMILESO=C(OCCC(C)C)CC1=CC=CC=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SA} Alphabetical Listings, Flavors and Fragrances, I-L

产品应用

  • 酯类合成香料。

相关文献及参考

  • 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.
  • 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

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSAJ2945000
Signal word Warning
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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P302+P352+P332+P313+P362+P364
  • 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
  • P302+P350 
TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 20 ug/disc
REFERENCE :
   OEKSDJ Osaka-furitsu Koshu Eisei Kenkyusho Kenkyu Hokoku, Shokuhin Eisei
   Hen.  Research Reports of the Osaka Prefectural Institute of Public Health,
   Food Sanitation Section.  (Osaka-furitsu Koshu Eisei Kenkyusho, 1-3-69
   Nakamichi, Higashinari-ku, Osaka 537, Japan)  No.1-    1970-
   Volume(issue)/page/year: 9,177,1978

Storage condition 2-8°C

其他信息

  • 具有可可和桦焦油香气。有甜味。不溶于水。溶子油和醇。以1：3溶于80％乙醇。

系列性分类

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