1-methoxy-4-propylbenzene 1-甲氧基-4-丙基苯

CAS 104-45-0 MFCD00027121

化学结构图

104-45-0
SMILES: CCCc1ccc(OC)cc1

化学属性

Mol. FormulaC10H14O
Mol. Weight150.22
Refractive indexn20/D 1.504(lit.)
Boiling Point215 °C at 760 mmHg
Density0.941 g/mL at 25 °C(lit.)
Flash Point194 °F
Appearance 无色至淡黄色液体。具有特殊的茴香型和沙士汽水香气。闪点85℃。溶于乙醇、大多数非挥发性油和矿物油,不溶于甘油和丙二醇。
Melting Point45-46 °C

别名和识别编码

Chemical Name1-methoxy-4-propylbenzene
CAS Number104-45-0
MDL NumberMFCD00027121
Synonym 1-Methoxy-4-propylbenzene {LY} 1-Methoxy-4-propylbenzene {} {LY} 1-Methoxy-4-propylbenzene {} {} {LY} 1-Methoxy-4-propylbenzene {} {} {} {LY} 1-Methoxy-4-propylbenzene {} {} {} {} {LY} 1-Methoxy-4-propylbenzene {} {} {} {} {} {LY} 1-Methoxy-4-propylbenzene {} {} {} {} {} {} {LY} 1-Methoxy-4-propylbenzene {} {} {} {} {} {} {} {LY} 1-Methoxy-4-propylbenzene {} {} {} {} {} {} {} {} {LY} 1-Methoxy-4-propylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methoxy-4-propylbenzene {} {} {} {} {} {} {} {} {} {} {LY} 1-Methoxy-4-propylbenzene {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methoxy-4-propylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methoxy-4-propylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methoxy-4-propylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methoxy-4-propylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methoxy-4-propylbenzene {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID7702
EC Number203-203-4
Chemical Name Translation1-甲氧基-4-丙基苯
Wiswesser Line Notation3R DO1
Beilstein Registry Number2042121
LabNetwork Molecule IDLN01327292
InChIInChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3
Canonical SMILESCCCC1=CC=C(C=C1)OC
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分类

  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O-P, O-Z
  • {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, Halal Certified Products, Kosher Certified Products, N-P, O - Z, O-P, O-Z
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ether; 1fragment
  • {SNA} Alphabetical Listings,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, N-P, O-P, O-Z
  • {SNA} Alpha

相关文献及参考

  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • 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

WGK Germany2
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
RTECSBZ9450000
Safety Statements
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
Hazard Codes N
Risk Statements
  • R51/53
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4400 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   6,378,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 7300 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - effect, not otherwise
   specified
   Sense Organs and Special Senses (Eye) - effect, not otherwise specified
   Skin and Appendages - hair
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

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: 13,789,1975

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 5 mmol/L
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   21,707,1983

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 参考质量标准:FCC,1997 含量 ≥99.0% 折射率(n D 20 ) 1.502~1.506 相对密度(d 25 25 ) 0.940~0.943 醇中溶解度 lml溶于5mL 80%乙醇,稀释后不变
  • 方法一:由茴香脑在镍催化下于60~95℃和加压条件下局部氢化而成。
  • Sigma Aldrich:104-45-0(sigmaaldrich)
  • 用途一:香料。主要用以配制啤酒等型香精。
  • MOL 文件:104-45-0.mol
  • 上游原料:茴香脑
  • FEMA:2930
  • 含量分析:按气相色谱法(GT-10-4)中用非极性柱方法测定。
  • 使用限量:FEMA(mg/kg):软饮料4.3;冷饮9.9;糖果64;焙烤食品67。 适度为限(FDA§172.515,2000).
  • 毒性:ADI未作规定(FAO/WHO,1994)。 LD504400mg/kg(大鼠,经口)。

系列性分类


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