2-Ethylphenol 2-乙基苯酚

CAS 90-00-6 MFCD00002249

化学结构图

90-00-6
SMILES: CCC1CCCCC1O

化学属性

Mol. FormulaC8H10O
Mol. Weight122.16
Density1.037 g/mL at 25 °C(lit.)
Refractive index1.5340 to 1.5390
Boiling Point195197°C at 760 mmHg
Melting Point-18 °C
Flash Point78°C(lit.)
TSCAYes
Solubility不溶

别名和识别编码

Chemical Name2-Ethylphenol
CAS Number90-00-6
EC Number201-958-4
Beilstein Registry Number6(3)1655
MDL NumberMFCD00002249
Synonym 2-Ethylphenol {LY} 2-Ethylphenol {} {LY} 2-Ethylphenol {} {} {LY} 2-Ethylphenol {} {} {} {LY} 2-Ethylphenol {} {} {} {} {LY} 2-Ethylphenol {} {} {} {} {} {LY} 2-Ethylphenol {} {} {} {} {} {} {LY} 2-Ethylphenol {} {} {} {} {} {} {} {LY} 2-Ethylphenol {} {} {} {} {} {} {} {} {LY} 2-Ethylphenol {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 2-Ethylphenol {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylphenol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2
PubChem Substance ID6997
Merck Number3839
Chemical Name Translation2-乙基苯酚
Reaxys-RN1099397
Wiswesser Line NotationQR B2
LabNetwork Molecule IDLN00202622
InChIInChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
Canonical SMILESCCC1=CC=CC=C1O
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分类

  • {SNA} Alcohols and Phenols, Alphabetical, Analytical Standards, Analytical/Chromatography, Chromatography, E - H, Life Sciences Standards, Phytopharma Standards, Substance Classification
  • {SNA} Alcohols and Phenols, Alphabetical, Analytical Standards, E - H, Phytochemical Standards, Substance Classification, 分析/色谱
  • {SNA} Building Blocks, C6 to C8, Chemical Synthesis, Ephedra sinica, Nutrition Research, Organic Building Blocks, Oxygen Compounds, Phenols, Phytochemicals by Plant (Food/Spice/Herb), 细胞生物学
  • {

相关文献及参考

  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.
  • 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

安全信息

Signal word Danger Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • 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；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
Risk Statements
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R34 Causes burns 会导致灼伤
  • 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
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • 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。
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P301+P330+P331+P310
  • P303+P361+P353
  • P370+P378
  • P304 IF INHALED: 如果吸入
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302 Harmful if swallowed 吞食有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSSL4025000
Packing GroupIII
UN Number UN 3145 8/PG 2 UN3145 3145
Hazard Codes Xn C Xn,Xi,C
Hazard Class8 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3100 mg/kg/12W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   19,413,1959

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 172 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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHARAT Pharmazie.  (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18,
   Berlin DDR-1020, Ger. Dem. Rep.)  V.1-    1946-  Volume(issue)/page/year:
   30,147,1975

Storage condition RT, stored under nitrogen {LY} RT, stored under nitrogen {} {LY} RT, stored under nitrogen {} {} {LY} RT, stored under nitrogen {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 图谱信息:2-乙基苯酚(90-00-6)红外图谱(IR2) 2-乙基苯酚(90-00-6)核磁图( 13 CNMR) 2-乙基苯酚(90-00-6)红外图谱(IR1) 2-乙基苯酚(90-00-6)质谱(MS) 2-乙基苯酚(90-00-6)核磁图( 1 HNMR)
  • Sigma Aldrich:90-00-6(sigmaaldrich)
  • MOL 文件:90-00-6.mol
  • F:8
  • TCI Shanghai:2-乙基苯酚 2-Ethylphenol,>;98.0%(GC)(90-00-6)
  • MSDS 信息:2-Ethylphenol(90-00-6).msds
  • 海关编码:29071900
  • Alfa Aesar:2-乙基苯酚,98+% 2-Ethylphenol, 98+%(90-00-6)
  • Acros Organics:2-乙基苯酚 2-Ethylphenol, 99%(90-00-6)
  • 2-乙基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 E0160 2-乙基苯酚 2-Ethylphenol 25ML 394元 2014/06/02 E0160 2-乙基苯酚 2-Ethylphenol 500ML 3190元 2010/06/21 118802500 2-乙基苯酚 2-Ethylphenol 99% 250 GR 3602元

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  6. C6 to C8 - Phenols
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Life Sciences Standards - Chromatography
  5. Phytopharma Standards - Life Sciences Standards
  6. Alphabetical - Phytopharma Standards
  7. E - H - Alphabetical
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Aromatic alcohols 芳香醇
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Ethers

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