4-Propylphenol 4-丙基苯酚

CAS 645-56-7 MFCD00002395

化学结构图

645-56-7
SMILES: CCCc1ccc(O)cc1

化学属性

Mol. FormulaC9H12O
Mol. Weight136.19
Refractive indexn20/D 1.523(lit.)
Boiling Point232°C at 760 mmHg
Density0.983
Flash Point106 °C
TSCAYes
Melting Point22°C

别名和识别编码

Chemical Name4-Propylphenol
Synonym 4-Propylphenol {LY} 4-Propylphenol {} {LY} 4-Propylphenol {} {} {LY} 4-Propylphenol {} {} {} {LY} 4-Propylphenol {} {} {} {} {LY} 4-Propylphenol {} {} {} {} {} {LY} 4-Propylphenol {} {} {} {} {} {} {LY} 4-Propylphenol {} {} {} {} {} {} {} {LY} 4-Propylphenol {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 4-Propylphenol {} {} {} {} {} {} {} {} {} {LY} 4-Propylphenol {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 4-Propylphenol {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Propylphenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Propylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Propylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Propylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Propylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Propylphenol {} {} {} {} {} {
CAS Number645-56-7
PubChem Substance ID12580
EC Number211-446-2
MDL NumberMFCD00002395
Reaxys-RN1363429
Beilstein Registry Number6(2)469
Alfabeta NamePROPYLPHENOL 4-
Chemical Name Translation4-丙基苯酚
Wiswesser Line NotationQR D3
LabNetwork Molecule IDLN00183346
InChIInChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
Canonical SMILESOC1=CC=C(CCC)C=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, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O-P, O-Z
  • {SNA} A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products,

相关文献及参考

  • Beil. 6 ,II,469
  • Aldrich MSDS 1 , 1554:B / Corp MSDS 1 (2), 2969:D / FT-IR 1 (1), 1076:B / FT-IR 2 (2), 1843:D / FT-NMR 1 (2), 251:B / Fenaroli (704) / IR-Spectra (3), 647:G / IR-Spectra (2), 577:E / NMR-Reference 2 (1), 873:C / RegBook 1 (1), 1269:H / Sax 6 , 2313 / Structure Index 1 , 193:B:1 / Vapor Phase 3 , 1008:C
  • 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: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
  • Short: IV/8I Title: Densities of Phenols, Aldehydes, Ketones, Carboxylic Acids, Amines, Nitriles, and Nitrohydrocarbons Author: Frenkel, M.; Hong, X.; Dong, Q.; Yan, X.; Chirico, R.D. Editor: Frenkel, M.; Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8I Year: 2002 Keyword: Thermodynamics; Thermodynamik ISBN: 978-3-540-42883-1 ISBN: 3-540-42883-6 Internet Resource: DOI:10.1007/b767

安全信息

GHS Symbol
WGK Germany3
Hazard Codes Xn
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • 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
RTECSSM8610000
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • 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。
  • P301+P330+P331
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
UN Number UN3145 2430
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
Safety Statements
Packing GroupIII
Warnings IRRITANT
Hazard Class8
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 675 mg/kg
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: 39(7),94,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 348 mg/kg
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: 39

TYPE OF TEST

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 540 mg/kg
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: 45(10),16,1980

TYPE OF TEST            : L

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 81 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 18,868,1975

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MSDS 信息:4-Propylphenol(645-56-7).msds
  • 图谱信息:4-丙基苯酚(645-56-7)核磁图( 13 CNMR) 4-丙基苯酚(645-56-7)红外图谱(IR1) 4-丙基苯酚(645-56-7)质谱(MS) 4-丙基苯酚(645-56-7)核磁图( 1 HNMR) 4-丙基苯酚(645-56-7)红外图谱(IR2)
  • FEMA:3649
  • Sigma Aldrich:645-56-7(sigmaaldrich)
  • MOL 文件:645-56-7.mol
  • 下游产品:环丙贝特
  • Alfa Aesar:4-正丙基苯酚,98% 4-n-Propylphenol, 98%(645-56-7)
  • 参考质量标准:FAO/WHO,2000 含量(GT-10-4) ≥98% 折射率(n D 20 ) 1.523~1.527 相对密度(d 25 25 ) 0.980~0.986
  • 使用限量:FEMA(mg/kg):焙烤制品0.1;软糖0.07;胶冻、布丁,0.012;无醇饮料0.03;水果冰品0.05;蜜饯、糖霜、果冻、果酱,0.06;硬糖0.15;胶姆糖3.0。
  • 用途一:用作液晶原料及中间体
  • TCI Shanghai:4-丙基苯酚 4-Propylphenol,>;99.0%(GC)(645-56-7)
  • 4-丙基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0698 4-丙基苯酚 4-Propylphenol 5G 412元 2014/06/02 P0698 4-丙基苯酚 4-Propylphenol 25G 1050元 2010/05/25 A15342 4-正丙基苯酚, 98% 4-n-Propylphenol, 98% 25g 2338元
  • 毒性:GRAS(FEMA)。

系列性分类


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