2,4-Dihydroxybenzoic acid 2,4-二羟基苯甲酸

CAS 89-86-1 MFCD00002451

化学结构图

89-86-1
SMILES: O=C(O)c1ccc(O)cc1O

化学属性

Mol. FormulaC7H6O4
Mol. Weight154.12
Density1.559
Melting Point208-211°C
TSCAYes
SolubilitySoluble in 95% ethanol (50 mg/ml), ether, alcohols, water (8 mg/ml at 20 °C), and water (70 mg/ml at 70 °C).
Stability对光敏感
Appearance 白色针状结晶。从水中结晶时含有结晶水,在100℃时变成无水物。熔点218-219℃(急热的熔点213℃)。溶于热水、乙醇、乙醚。在水、酸或盐溶液中煮沸会脱去二氧化碳。与氯化铁作用呈红色。
Boiling Point237.46 °C at 760 mmHg

别名和识别编码

Chemical Name2,4-Dihydroxybenzoic acid
CAS Number89-86-1
EC Number201-946-9
Beilstein Registry Number1946213
MDL NumberMFCD00002451
Synonym 2,4-Dihydroxybenzoic acid {LY} 2,4-Dihydroxybenzoic acid 2,4-dihydroxybenzoate 2,4-dihydroxybenzoic acid beta-resorcylic acid beta-resorcylic acid, lead salt beta-resorcylic acid, monosodium salt beta-resorcylic acid, sodium salt {} {LY} 2,4-Dihydroxybenzoic acid {} {} {LY} 2,4-Dihydroxybenzoic acid {} {} {} {LY} 2,4-Dihydroxybenzoic acid {} {} {} {} {LY} 2,4-Dihydroxybenzoic acid {} {} {} {} {} {LY} 2,4-Dihydroxybenzoic acid {} {} {} {} {} {} {LY} 2,4-Dihydroxybenzoic acid {} {} {} {} {} {} {} {LY} 2,4-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {LY} 2,4-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {LY} 2,4-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID1491
Merck Number8157
Reaxys-RN1946213
Chemical Name Translation2,4-二羟基苯甲酸
LabNetwork Molecule IDLN00225288
InChIInChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)
Canonical SMILESO=C(O)C1=CC=C(O)C=C1O
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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} A - D, A-D, Alphabetical Listings, C-D, Flavors and Fragrances, Halal Certified Products,
  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Orga
  • {SA} A-D,

产品应用

  • 铁的点滴分析试剂。染料及药物中间体。该品兼有间苯二酚和水杨酸的化学性质,用于化学试剂比色测定铁、钛和其他元素;用于有机合成时,主要是作染料及药物中间体。

相关文献及参考

  • Merck: 14,8157
  • Merck: 14,8157 Beilstein:10,377
  • Short: II/27B
  • Short: II/27C
  • [1]. Seeram NP, et al. Degradation products of cyanidin glycosides from tart cherries and their bioactivities. J Agric Food Chem. 2001 Oct;49(10):4924-9.

安全信息

Signal word Warning
GHS Symbol
WGK Germany1
Safety Statements
  • 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;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
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
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。
  • P264+P265
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSVH3708050
Hazard Codes Xi
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 196,478,1976

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 642 mg/kg
SEX/DURATION            : female 11 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD
   Pub. Ltd., P.O. Box 966, Westbury, NY 11590)  V.1-    1970-
   Volume(issue)/page/year: 38,209,1982

其他信息

  • Alfa Aesar:2,4-二羟基苯甲酸,97% 2,4-Dihydroxybenzoic acid, 97%(89-86-1)
  • 上游原料:碳酸氢钠 --> 间苯二酚
  • 用途一:用作染料、医药、农药中间体
  • 用途三:该品兼有间苯二酚和水杨酸的化学性质,用于化学试剂比色测定铁、钛和其他元素;用于有机合成时,主要是作染料及药物中间体。2,4-二羟基苯甲酸在酸性媒介桃红3BM的生产中是一种主要的原料,每吨染料消耗该品(按100%)157kg。
  • 毒性:GRAS(FEMA)。
  • 方法一:由间苯二酚经羟基化而得。
  • 用途四:铁的点滴分析试剂。染料及药物中间体。该品兼有间苯二酚和水杨酸的化学性质,用于化学试剂比色测定铁、钛和其他元素;用于有机合成时,主要是作染料及药物中间体。
  • TCI Shanghai:2,4-二羟基苯甲酸 2,4-Dihydroxybenzoic Acid,>;98.0%(T)(89-86-1)
  • 海关编码:29182990
  • 2,4-二羟基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30063360 2,4-二羟基苯甲酸;雷琐辛甲酸; 间苯二酚甲酸; 树脂酚甲酸 25g 27元 2011/04/16 D0568 2,4-二羟基苯甲酸 2,4-Dihydroxybenzoic Acid 25G 153元 2011/04/16 D0568 2,4-二羟基苯甲酸 2,4-Dihydroxybenzoic Acid 500G 764元
  • MSDS 信息:beta-Resorcylic acid(89-86-1).msds
  • 使用限量:FEMA(mg/kg):冷饮450;肉制品、乳品、加工蔬菜,100;软糖、凝胶、布丁、小吃食品、饮料、早餐谷物、油脂、干酪、禽制品、鱼类、调味品、甜沙司、代乳品、肉羹汤、水果冰品、蛋制品、果酱、果冻、复水蔬菜,500;汤品250;胶姆糖3333;速溶咖啡和茶12.5;代糖品12500;调味香料25000。
  • 用途二:用作染料中间体、医药及试剂
  • 图谱信息:2,4-二羟基苯甲酸(89-86-1)质谱(MS) 2,4-二羟基苯甲酸(89-86-1)红外图谱(IR1) 2,4-二羟基苯甲酸(89-86-1)红外图谱(IR2)
  • 下游产品:2,6-二羟基苯甲酸 --> 4-甲氧基水杨酸 --> 2,4-二甲氧基苯甲酸
  • Acros Organics:2,4-二羟基苯甲酸 2,4-Dihydroxybenzoic acid, 97%(89-86-1)
  • MOL 文件:89-86-1.mol
  • FEMA:3798
  • 在100℃时变成无水物。与水、酸或盐溶液共沸,则失去二氧化碳。溶于热水、乙醇、乙醚和橄榄油,实际上不溶于苯。有刺激性。水中溶解度:8 g/l (20°C)。
  • Sigma Aldrich:89-86-1(sigmaaldrich)

系列性分类


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