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 {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dih
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

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. C-D - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C7 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C7 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids
  6. C6
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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