Methyl 4-hydroxybenzoate 4-羟基苯甲酸甲酯

CAS 99-76-3 MFCD00002352

化学结构图

99-76-3
SMILES: COC(=O)c1ccc(O)cc1

化学属性

Mol. FormulaC8H8O3
Mol. Weight152.15
Melting Point125-128°C
TSCAYes
Boiling Point280 °C at 760 mmHg
Density1.209
Stability对湿度敏感
Flash Point280°C
Solubility不溶于水，微溶于苯、四氯化碳，溶于醇、醚、丙酮。

别名和识别编码

Chemical NameMethyl 4-hydroxybenzoate
Synonym Methyl paraben {LY} Methyl paraben {} {LY} Methyl paraben {} {} {LY} Methyl paraben {} {} {} {LY} Methyl paraben {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number99-76-3
PubChem Substance ID7456
EC Number202-785-7
Beilstein Registry Number509801
MDL NumberMFCD00002352
Reaxys-RN509801
Merck Number6107
Chemical Name Translation4-羟基苯甲酸甲酯
InChIKeyLXCFILQKKLGQFO-UHFFFAOYSA-N
Wiswesser Line NotationQR DVO1
LabNetwork Molecule IDLN00196460
InChIInChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
Canonical SMILESO=C(OC)C1=CC=C(O)C=C1
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分类

  • Allergens, Analytical Standards, Analytical/Chromatography, Chromatography, Cosmetic Standards, E numbers (Food Additives), E200–E299 (preservatives), E218, Food & Beverage Standards, Parabens, Pharmaceutical Secondary Standards,
  • {SNA} Analytical Standards, EP Standards, EP Standards L - M, Pharmacopeia & Metrological Institutes Standards, 分析/色谱
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Follows IFRA Guidelines, I-N, Kosher Certified Products, M-N
  • {SNA} Core Bioreagents, Enzyme Inhibitors, Research Essentials
  • {SNA} Bioactive Small Molecule Alphabetical Index, M,

产品应用

  • 防腐杀菌剂。
  • 昆虫细胞培养级用于研究类固醇激素，如类固酮(testerone)的生物合成。

相关文献及参考

  • Merck: 14,6107
  • Merck: 14,6107 Beilstein: 10,IV,360
  • [1]. Soni MG, et al. Evaluation of the health aspects of methyl paraben: a review of the published literature. Food Chem Toxicol. 2002 Oct;40(10):1335-73.

安全信息

GHS Symbol
WGK Germany1
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
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
  • H303 May be harmfully swallowed 吞食可能有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
RTECSDH2450000
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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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+P333+P313+P362+P364
  • P305+P351+P338
  • 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。
  • P333+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY
UN Number UN 2769 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 128,135,1960

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FAONAU FAO Nutrition Meetings Report Series.  (Rome, Italy)  No.?-57,
   1948-77.  Discontinued.  Volume(issue)/page/year: 53A,81,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 960 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscular blockage)
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >8 gm/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscular blockage)
   Behavioral - ataxia
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 45,260,1956

{hazard_com}

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Fibroblast
DOSE/DURATION           : 500 mg/L
REFERENCE :
   ESKHA5 Eisei Shikenjo Hokoku.  Bulletin of the Institute of Hygienic
   Sciences.  (Kokuritsu Eisei Shikenjo Kagaku, 18-1 Bushitsu Johobu,
   Setagaya-ku, Tokyo 158, Japan)  V.1-    1886-  Volume(issue)/page/year:
   (96),55,1978

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 125 mg/L/27H
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 66,277,1979

其他信息

  • Sigma Aldrich:99-76-3(sigmaaldrich)
  • 参考质量标准:FAO/WHO，1998 含量(以干基计) ≥99.0% 干燥失重(硅胶上5h) ≤0.5% 硫酸盐灰分(GT-5；试样2.0g) ≤0.05% 酸度试验 阴性 对羟基苯甲酸及水杨酸试验 阴性 铅(原子吸收法) ≤2mg/kg
  • 毒性分级:中毒
  • FEMA:2710
  • MSDS 信息:对羟基苯甲酸甲酯(99-76-3).msds
  • TCI Shanghai:4-羟基苯甲酸甲酯 Methyl 4-Hydroxybenzoate,>;99.0
  • 使用限量:FAO/WHO(1984)；果酱、果冻，1000mg/kg(单用或与苯甲酸盐类、山梨酸及山梨酸钾合用量)。 EEC(1990，mg/kg)：准用于色素溶液、增香糖浆、咖啡抽提液、冷冻饮料、水果攀、葡萄糖和软饮料、腌渍鱼、沙拉、沙司、小吃食品、浓缩汤等，以GMP为限；啤酒70；小吃谷物和汤料浓缩物175，余同“07018对羟基苯甲酸丙酯”。 HACSG列为限用名单。 FDA，§184．1490(2000)：0.1%。
  • 灭火剂:水, 二氧化碳, 干粉, 砂土
  • 海关编码:29182930
  • 急性毒性:腹腔-小鼠 LD50: 960 毫克/公斤
  • 方法二:由对羟基苯甲酸与甲醇酯化而得。将对羟基苯甲酸加入过量的甲醇中溶解，搅拌下缓缓加入浓硫酸。加热回流10h后倒入水中析出结晶，经水洗、碳酸钠溶液洗、水洗，得粗品。用水或25%乙醇重结晶而得成品。收率为85%。原料消耗（kg/t）对羟基苯甲酸 1200甲醇 1000
  • 图谱信息:尼泊金甲酯(99-76-3)红外图谱(IR2) 尼泊金甲酯(99-76-3)核磁图( 1 HNMR) 尼泊金甲酯(99-76-3)质谱(MS) 尼泊金甲酯(99-76-3)Raman光谱 尼泊金甲酯(99-76-3)红外图谱(IR1) 尼泊金甲酯(99-76-
  • 无气味或微有刺激性焦灼味。溶于醇、醚和丙酮，微溶于苯和四氯化
  • Alfa Aesar:4-羟基-苯甲酸甲酯,99% Methyl 4-hydroxybenzoate, 99%(99-76-3)
  • {Chemical
  • MOL 文件:99-76-3.mol
  • 尼泊金甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30119426 对羟基苯甲酸甲酯 100g 31.8元 2011/08/23 xp400099 对羟基苯甲酸甲酯 5g 41.7元 2011/08/23 30119470 对羟基苯甲酸甲酯 1kg 95元
  • 凝固点:131℃
  • 用途二:用作防腐剂，也用于医药及有机合成
  • 外观性质:无色结晶或白色结晶性粉末, 无气味或微有刺激性气味。
  • 类别:有毒物质
  • 用途一:用作食品、化妆品及医药防霉剂
  • 含量分析:方法一按“对羟基苯甲酸丁酯(07002)”中含量分析方法测定。每mL Imol/L氢氧化钠相当于本品(C8H8O3)152.2mg。 方法二 取预先在硅胶上干燥5h后的试样0.1g(准确至lmg)，移入300ml具玻塞烧瓶。加lmol/L氢氧化钠10ml，在水浴上加热15min。冷却后，加0.1mol/L溴酸钾50.00ml、溴化钾5.0g和lmol/L盐酸30ml。密塞后于暗室内放置15min。加碘化钾1g，剧烈摇动烧瓶，用0.1mol/L硫代硫酸钠滴定，用淀粉试液(TS-235)作为指示剂。每ml0.1mol/L溴酸钾相当于本品(C8H8O3)25.36mg。
  • Acros Organics:4
  • 用途三:防腐剂；抗微生物剂。
  • 下游产品:3-氰基-4-羟基苯甲酸 --> 溶致液晶高分子聚苯并[口恶]唑 --> 4-(2-吗啉-4-基-乙氧基)苯甲酸 --> 4-异丙氧苯甲酸

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. M - Bioactive Small Molecules
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. M-N - Alphabetical Listings
  1. Life Science 生命科学
  2. Cell Culture 细胞培养
  3. Serum-free Media - Cell Culture
  4. Insect Platform - Serum-free Media
  5. Companion Products and Reagents - Insect Platform
  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. Esters - Carbonyl Compounds
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Forensic and Veterinary Standards - Chromatography
  5. Drugs & Metabolites - Forensic and Veterinary Standards
  6. Neat Compounds - Drugs & Metabolites
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. META - METH - M
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Food & Beverage Standards - Chromatography
  5. E numbers (Food Additives) - Food & Beverage Standards
  6. E200–E299 (preservatives) - E numbers (Food Additives)
  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. Materials Science 材料科学
  2. Pressure & Heat Sensitive Recording Materials
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Dry Powder Media
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Culture
  4. Lipids and Lipid Carriers
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Microscopy Reagents
  4. Stains and Dyes
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Reagents and Supplements
  4. Lipids and Lipid Carriers
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Culture
  4. Reagents and Supplements
  5. Lipids and Lipid Carriers
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)