Isosafrol 异黄樟素

CAS 120-58-1 MFCD00005838

化学结构图

120-58-1
SMILES: C/C=C/c1ccc2c(c1)OCO2

化学属性

Mol. FormulaC10H10O2
Mol. Weight162.20
Refractive indexn20/D 1.573(lit.)
Density1.12 g/mL at 25 °C(lit.)
Boiling Point77-86 °C/3.5 mmHg(lit.)
Flash Point>;230 °F
Appearance 无色至微黄色液体。沸点248℃,熔点7℃,相对密度1.115-1.121,折射率1.573-1.578,闪点99℃,溶于8体积90%乙醇及油质香料中。有柔甜辛香,隐约的花香茴清香气,也有些类似茉莉醛的气息。香气强烈而留长。

别名和识别编码

Chemical NameIsosafrol
Synonym {uni_hamburg} 1,2-Methylenedioxy-4-propenylbenzene 异黄樟油素(顺式+反式) Isosafrol, cis/trans 5-丙烯基-1,3-苯并二噁茂 5-(1-Propenyl)-1,3-benzodioxole 3,4-(Methylenedioxy)-1-propenylbenzene 4-Propenylcatechol methylene ether Isosafrol, mixture of cis and trans 5-prop-1-enyl-1,3-benzodioxole 5-cis/trans-propenyl-benzo-1,3-dioxo ISOSAFROL 1,2-METHYLENEDIOXY-4-(1-PROPENYL)BENZENE 5-cis/trans-propen Isosafrole 3,4-(methylen 1,2-Methylendioxy-4-propenylbenzol 1-(3,4-methylenedioxyphenyl)propene 异黄樟(油)素(顺、反式混合物) 5-[(1E)-1-Propenyl]-1,3-benzodioxole 1,2-(methylenedioxy)-4-propenyl-benzen 4-Propenyl-1,2-methylenedioxybenzene 5-(1-Propenyl)-1,3-benzodioxoleq {u ((E)-5-PROPENYL)-BENZO[1,3]D 1,2-(METHYLENEDIOXY)-4-PROPENYLBENZENE 异黄樟脑 RCRA waste number U141 NSC 59192 异黄樟油素 5-(Propen-1-yl)-1,3-benzodioxole 3,4-Methylenedihydroxy-1-propenylbenzene 5-propenyl-benzo-1,3-dioxole ISOSAFROLE 5-(1-propenyl)-3-benzodioxole Izosafrol 1,2-Methylendioxy-4-(1-propenyl)-benzol, cis/trans-Isomerengemisch (E/Z)-Isosafrol Isosafrole, mixture of isomers Benzene, 1,2-methylenedioxy-4-propenyl- ((E 异黄樟素 4-丙烯基-1,2-亚甲二氧基苯 異黃樟油精 1,3-Benzodioxole, 5-(1-propenyl)- 1,2-(Methylenedioxy)-4-propenylbenzene Benzene, 1,2-(methylenedioxy)-4-propenyl- Isosafrole, mixture of ci
EC Number204-410-2
Beilstein Registry Number0082640
MDL NumberMFCD00005838
PubChem Substance ID24859803
CAS Number120-58-1
Chemical Name Translation异黄樟素
Merck Number13,5244
Wiswesser Line NotationT56 BO DO CHJ G1U2
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment
  • {SNA} Acyclic, Alkenes, Building Blocks, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • 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 th

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSDA5950000
Signal word Warning
Hazard Codes Xn
Risk Statements
  • R38 Irritating to skin 刺激皮肤
  • R22 Harmful if swallowed 吞咽有害
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
Restrict 易制毒化学品
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 61 gm/kg/81W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Liver - tumors
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   42,1101,1969

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 101 gm/kg/81W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 19,130,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       :

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie.  (Leipzig,
   Ger. Dem. Rep.)  V.1-109, 1873-1925.  For publisher information, see NSAPCC.
    Volume(issue)/page/year: 35,342,1895

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1030 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   SIZSAR Sapporo Igaku Zasshi.  Sapporo Medical Journal.  (Sapporo Igaku
   Daigaku, Nishi-17-chome, Minami-1-jo, Chuo-ku, Sapporo 060, Japan)  V.3-
   1952-  Volume(issue)/page/year: 3,73,1952

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1340 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   7,18,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2470 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
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

{hazard_co

其他信息

  • 图谱信息:异黄樟素(120-58-1)红外图谱(IR1) 异黄樟素(120-58-1)核磁图( 1 HNMR) 异黄樟素(120-58-1)质谱(MS) 异黄樟素(120-58-1)核磁图( 13 CNMR) 异黄樟素(120-58-1)红外图谱(IR2)
  • 方法一:由黄樟脑异构化而得。取不含水分的黄樟脑,在氢氧化钾-无水酒精溶液中加热异构化,蒸馏得到异黄樟脑,收率可达98%。水分存在对异构化反应很不利。
  • Sigma Aldrich:120-58-1(sigmaaldrich)
  • 用途一:可用于香薇、葵花、山楂花、百合、素心兰、东方香型等香精中,大都属于皂用香精。在古龙型香精中微量用作修饰剂,也用于人工配制某些天然精油如依兰、卡南加等,也是合成洋茉莉醛的原料。
  • 上游原料:乙醇 --> 黄樟素
  • MOL 文件:120-58-1.mol
  • 异黄樟素价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 259800010 异黄樟素 Isosafrol 95%, mixture of cis and trans 1 KG 1069元 2010/06/21 259801000 异黄樟素 Isosafrol 95%, mixture of cis and trans 100 ML 780元
  • Acros Organics:异黄樟素 Isosafrol,mixtureofcisandtrans,95%(120-58-1)
  • 下游产品:胡椒醛 --> 4-丙烯基-2-甲氧基苯酚 --> 黄莲素
  • 用途二:用于配制皂用香精。

系列性分类


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