2,6-Bis(Hydroxymethyl)-p-Cresol 2-羟基-5-甲基间苯二甲醇

CAS 91-04-3 MFCD00004619

化学结构图

91-04-3
SMILES: Cc1cc(CO)c(O)c(CO)c1

化学属性

Mol. FormulaC9H12O3
Mol. Weight168.19
Melting Point125.0 to 128.0 deg-C
TSCAYes
Vapor Density5.8 (vs air)

别名和识别编码

Chemical Name2,6-Bis(Hydroxymethyl)-p-Cresol
MDL NumberMFCD00004619
PubChem Substance ID87564432
CAS Number91-04-3
EC Number202-036-4
Reaxys-RN1240237
Beilstein Registry Number6,1127
Synonym 2,6-Bis(hydroxymethyl)-p-cresol {LY} 2,6-Bis(hydroxymethyl)-p-cresol {} {LY} 2,6-Bis(hydroxymethyl)-p-cresol {} {} {LY} 2,6-Bis(hydroxymethyl)-p-cresol {} {} {} {LY} 2,6-Bis(hydroxymethyl)-p-cresol {} {} {} {} {LY} 2,6-Bis(hydroxymethyl)-p-cresol {} {} {} {} {} {LY} 2,6-Bis(hydroxymethyl)-p-cresol {} {} {} {} {} {} {LY} 2,6-Bis(hydroxymethyl)-p-cresol {} {} {} {} {} {} {} {LY} 2,6-Bis(hydroxymethyl)-p-cresol {} {} {} {} {} {} {} {} {LY} 2,6-Bis(hydroxymethyl)-p-cresol {} {} {} {} {} {} {} {} {} {LY} 2,6-Bis(hydroxymethyl)-p-cresol {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Bis(hydroxymethyl)-p-cresol {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Bis(hydroxymethyl)-p-cresol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Bis(hydroxymethyl)-p-cresol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Bis(hydroxymethyl)-p-cresol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Bis(hydroxymethyl)-p-cresol {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation2-羟基-5-甲基间苯二甲醇
LabNetwork Molecule IDLN00464487
InChIInChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3
Canonical SMILESOC=1C(=CC(=CC1CO)C)CO
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分类

  • Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols

相关文献及参考

  • Beil. 6 ,1127
  • Aldrich MSDS 1 , 200:B / Corp MSDS 1 (1), 438:C / FT-IR 1 (1), 1094:C / FT-IR 2 (2), 1872:D / FT-NMR 1 (2), 284:C / RegBook 1 (1), 1285:K / Structure Index 1 , 196:C:5
  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • 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 Germany3
GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/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。
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word
RTECSCZ6440000
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/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;
  • S37 Wear suitable gloves 戴适当手套;
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
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 1250 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - miosis (pupillary constriction)
   Behavioral - altered sleep time (including change in righting reflex)
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 26,123,1926

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

  • MOL 文件:91-04-3.mol
  • 图谱信息:2-羟基-5-甲基间苯二甲醇(91-04-3)质谱(MS) 2-羟基-5-甲基间苯二甲醇(91-04-3)红外图谱(IR2) 2-羟基-5-甲基间苯二甲醇(91-04-3)核磁图( 1 HNMR) 2-羟基-5-甲基间苯二甲醇(91-04-3)红外图谱(IR1)
  • Alfa Aesar:2,6-双(羟基甲基)-对-甲酚,95% 2,6-Bis(hydroxymethyl)-p-cresol, 95%(91-04-3)
  • Hazard Note:Irritant
  • MSDS 信息:2,6-Bis(hydroxymethyl)-p-cresol(91-04-3).msds
  • 2-羟基-5-甲基间苯二甲醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1525 2,6-双(羟甲基)对甲酚 2,6-Bis(hydroxymethyl)-p-cresol 500G 2770元 2014/06/02 B1525 2,6-双(羟甲基)对甲酚 2,6-Bis(hydroxymethyl)-p-cresol 25G 325元 2010/06/21 210951000 2-羟基-5-甲基间苯二甲醇 2,6-Bis(hydroxymethyl)-p-cresol 97% 100 GR 718元
  • 蒸气密度:5.8 (vs air)
  • Sigma Aldrich:91-04-3(sigmaaldrich)
  • TCI Shanghai:2-羟基-5-甲基-1,3-苯二甲醇 2,6-Bis(hydroxymethyl)-p-cresol,>;96.0%(GC)(91-04-3)
  • Acros Organics:2,6-二(羟甲基)-4-甲基苯酚 2,6-Bis(hydroxymethyl)-p-cresol, 97%(91-04-3)

系列性分类


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