Propyl 3,4,5-trihydroxybenzoate 没食子酸丙酯

CAS 121-79-9 MFCD00002196

化学结构图

121-79-9
SMILES: CCCOC(=O)c1cc(O)c(O)c(O)c1

化学属性

Mol. FormulaC10H12O5
Mol. Weight212
Density1.210
Melting Point146-149
TSCAYes
Solubility0.35 G/100 ML (25 ºC)
Appearance 50 powder 乳白色针状结晶或白色至淡黄褐色结晶性粉末，无臭，稍有苦味，熔点150℃。对热较稳定，遇光有利于分解，遇铜、铁离子呈紫色或暗绿色，有吸湿性。易溶于热水、乙醇、丙二醇、甘油、棉子油、猪油、花生油和乙醚，难溶于冷水。0.25%的水溶液PH约为5.5。大白鼠经口LD 3800mg/kg，ADI 0-1.4mg/kg（FAO/WHO，1994）。
Stability对光线敏感

别名和识别编码

Chemical NamePropyl 3,4,5-trihydroxybenzoate
MDL NumberMFCD00002196
CAS Number121-79-9
EC Number204-498-2
Beilstein Registry Number1877976
Synonym 3,4,5-TRIHYDROXYBENZENE-1-PROPYLCARBOXYLATE 3,4,5-TRIHYDROXYBENZOIC ACID N-PROPYL ESTER 3,4,5-Trihydroxybenzoic acid propyl ester, Tenox PG 3,4,5-trihydroxy-benzoicacipropylester 3,4,5-三羟基苯甲酸丙酯 3,4,5-三羟基苯甲酸丙酯 Tenox PG 3,4,5-三羟基苯甲酸丙酯,五棓子酸丙酯 5-三羟基苯甲酸丙酯 FEMA 2947 GALLIC ACID N-PROPYL ESTER GALLIC ACID PROPYL ESTER N-PROPYL 3,4,5-TRIHYDROXYBENZOATE N-PROPYL GALLATE Nipa 49 Nipagallin P Tenox PG n-Propyl ester of 3,4,5-trihydroxybenzoic acid n-Propyl gallate nipagallinp {} {} {} {} {hazar 丙基-3,4,5-三羟基苯甲酸酯 五棓子酸丙酯 棓丙酯 棓酸丙酯 棓酸丙酯(没食子酸丙酯) 焙酸丙酯 雷尼替丁杂质B
Merck Number7859
PubChem Substance ID87570245
Reaxys-RN1877976
Chemical Name Translation没食子酸丙酯
Wiswesser Line NotationQR BQ CQ EVO3
LabNetwork Molecule IDLN00196170
InChIInChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3
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分类

  • {SNA} Antioxidants and Cytoprotectants, Bioactive Small Molecules, Cell Signaling and Neuroscience, Cell Stress, Nitric Oxide and Cell Stress, PI-PY, 细胞生物学
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Bioactive Small Molecules, Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks, P, PON - PT, 细胞生物学
  • {SNA} Alphabetical Index of Analytical Sta
  • {SNA} Analytical Standards,
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, Pharmaceutical Standards, Pharmacopeia St

产品应用

  • A biochemical used as an anti-fade reagent in fluorescence microscopy

相关文献及参考

  • Merck: 14,7859 Beilstein:10(3)2078
  • Merck: 14,7859
  • Antioxidant.

安全信息

Signal word Warning
GHS Symbol
WGK Germany2
Safety Statements
  • S24 Avoid contact with skin 避免皮肤接触；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R22 Harmful if swallowed 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
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
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。
  • 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。
  • 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+P333+P313+P362+P364
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSLW8400000
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H302 Harmful if swallowed 吞食有害
  • H303 May be harmfully swallowed 吞食可能有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn
Storage condition 0-6°C 密封阴凉干燥避光保存。 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 168 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Liver - tumors
REFERENCE :
   NKEZA4 Nippon Koshu Eisei Zasshi.  Japanese Journal of Public Health.
   (Nippon Koshu Eisei Gakkai, 1-29-8 Shinjuku, Shinjuku-ku, Tokyo 160, Japan)
   V.1-    1954-  Volume(issue)/page/year: 29,25,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   VPITAR Voprosy Pitaniya.  Problems of Nutrition.  (V/O Mezhdunarodnaya
   Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11-    1952-
   Volume(issue)/page/year: 25(6),47,1966

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAOCA7 Journal of the American Oil Chemists' Society.  (Champaign, IL)
   V.24-56, 1947-79.  Volume(issue)/page/year: 54,239,1977

TYPE OF TEST            : LD50 - L

TYPE OF T

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 380 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - dyspnea
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   FOTEAO Food Technology (Chicago).  (Institute of Food Technolgists, 221 N.
   La Salle St., Chicago, IL 60601)  V.1-    1947-  Volume(issue)/page/year:
   2,308,1948

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 2480 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB223-840

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Fibroblast
DOSE/DURATION           : 40 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           : 10 mg/L
REFERENCE :
   ATSUDG Archives of Toxicology, Supplement.  (Springer-Verlag New York, Inc.,
   Service Center, 44 Hartz Way, Secaucus, NJ 07094)  No.1-    1978-
   Volume(issue)/page/year: 4,41,1980

TYPE OF TEST            : Mutation in microorganisms
TEST SY

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 5 mg/L
REFERENCE :
   SCIEAS Science.  (American Assoc. for the Advancement of Science, 1333 H
   St., NW, Washington, DC 20005)  V.1-    1895-  Volume(issue)/page/year:
   236,933,1987

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
D

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 900 mg/kg/72H (Intermittent)
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   25,302,1995

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 5 mg/L
REFERENCE :
   SCIEAS Science.  (American Assoc. for the Advancement of Science, 1333 H
   St., NW, Washington, DC 20005)  V.1-    1895-  Volume(issue)/page/year:
   236,933,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 19 gm/kg
SEX/DURATION            : female 1-22 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
   per # born alive)
REFERENCE :
   SKEZAP Shokuhin Eiseigaku Zasshi.  Food Hygiene Journal.  (Nippon Shokuhin
   Eisei Gakkai c/o Shokuhin Eisei Senta, 2-6-1 Jingumae, Shibuya-ku, Tokyo
   150, Japan)  V.1-    1960-  Volume(issue)/page/year: 20,378,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 45 gm/kg
SEX/DURATION            : female 1-22 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   SKEZAP Shokuhin Eiseigaku Zasshi.  Food Hygiene Journal.  (Nippon Shokuhin
   Eisei Gakkai c/o Shokuhin Eisei Senta, 2-6-1 Jingumae, Shibuya-ku, Tokyo
   150, Japan)  V.1-    1960-  Volume(issue)/page/year: 20,378,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2500 mg/kg
SEX/DURATION            : female 1-22 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   AJANA2 American Journal of Anatomy.  (Alan R. Liss, Inc., 41 E. 11th St.,
   New York, NY 10003) V.1-192, 1901-91.  Volume(issue)/page/year: 110,29,1962

其他信息

  • 方法二:1没食子酸的制备 五倍子中含有50%-70%的单宁，单宁经酶解或水解可得没食子酸。 (1)发酵法。将风干的五倍子破碎至0.5-1.0cm，筛去含虫粉，用4倍的水于40-60℃下浸提18h；采用逆循环法共浸提4次，使最终浸提液达相对密度1.058；浸泡液再50-60℃下用5%的活性炭保温搅拌脱色4h；趁热过滤，滤渣用水洗涤4次。合并滤液和洗液，于60℃下减压浓缩，得到30%-35%的单宁溶液；将其冷至室温后接入总液量2%的黑曲霉种子，再30℃左右发酵8-9天，以清水洗涤沉淀物得粗没食子酸，再重结晶即得成品。 (2)水解法。将280kg 95%的硫酸加入1679kg 20%的单宁溶液，再105℃下搅拌世界6h，或将150kg 95%的硫酸加入1670kg 20%的单宁溶液，在133-135℃和0.18-0.20Mpa下搅拌反应2h。反应物冷却至10℃析出结晶，分离得粗品；再将其溶解于70-80℃的水中，加入总液量5%的活性炭，保温搅拌10min，趁热过滤；滤液冷却至室温，静置12h，结晶、分离得第一次脱色精品；将其用用样的方法重结晶以次得第二次脱色精品，经干燥可得200kg的成品。 2 PG的合成 在带分水装置的烧瓶中加入0.1mol没食子酸、0.3mol丙酮、20mL苯活60-80℃石油醚和0.01-0.04mol对甲苯磺酸，加热回流至五明显水分出时止；把反应混合物（呈浅紫红色）先常压后减压蒸出过量的丙醇和带水剂；在不断搅拌下，趁热将剩余物倒入冷水中，抽滤后先后用稀碱液和水洗至中性，再脱色、用水重新结晶，并于80℃烘干，得熔点147-148℃的白色针状结晶，收率87.2%-89.5%。 用70%的高氯酸代替对甲苯磺酸，收率88.1%-88.6%。
  • 所属类别二:食品添加剂: 抗氧化剂
  • 用途四:该品是食品和饲料添加剂。用作油脂、猪油等的坑氧化剂，抗氧化作用强，但有着色的缺点，用量为0.1g/kg以下。作为饲料抗氧化剂时，最大用量为100ppm。也可用于化妆品。大鼠口服LD50为3.8g/kg。
  • MSDS 信息:3,4,5-Trihydroxybenzoic acid
  • 含
  • 使用限量:GB 2760-2001：食用油脂、油炸食品、干鱼制品、饼干、方便面、速煮面、果仁罐头、腌腊肉制品，0.1g/kg；胶姆糖胶基，GMP。与BHA、BHT合用时此两者总量不得超过0.1g/kg，
  • 没食子酸丙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30158426 没食子酸正丙酯 100g 60元 2011/04/16 G0018 没食子酸丙酯 Propyl Gallate 25G 160元 2011/04/16 G0018 没食子酸丙酯 Propyl Gallate 500G 1270元
  • 上游原料:对甲苯磺酸 --> 搪玻璃反应锅 --> 对甲苯 --> 单宁酸 --> 五倍子 --> 没食子酸乙酯 --> 硫酸氫苯酯 --> 异丙醇
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允许残留量（g/kg） 没食子酸丙酯 胶基糖果 胶基糖果中基础剂物质 按生产需要适量使用（有特别规定的除外） 没食子酸丙酯 油炸食品 抗氧化剂 0.1 没食子酸丙酯 风干、烘干、压干等水产品 抗氧化剂 0.1 没食子酸丙酯 腌腊肉制品类（如咸肉、腊肉、板鸭、中式火腿、腊肠等） 抗氧化剂 0.1 没食子酸丙酯 饼干 抗氧化剂 0.1 没食子酸丙酯 方便米面制品 抗氧化剂 0.1 没食子酸丙酯 胶基糖果 抗氧化剂 0.4 没食子酸丙酯 坚果与籽类罐头 抗氧化剂 0.1 没食子酸丙酯 脂肪，油和乳化脂肪制品 抗氧化剂 0.1
  • FEMA:29
  • 参考质量标准一:GB 3263—1982 含量(干基)/% 98～102.5 熔点/℃ 146～150 干燥失重/% ≤0.5 灼烧残渣/% ≤0.1 重金属(以Pb计)/% ≤0.001 砷(以As计)/% ≤0.0003
  • 毒性:ADI 0～1．4mg/kg(FAO/WHO，2001)。 LD 50 3600mg/kg(大鼠，经口)。 GRAS(FDA，§184．1660，2000)。 按EEC-HACSG规定：不得用于婴幼儿食品。

系列性分类

  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Chemical Classification - Nutrition Research
  4. Plant Extracts - Phytochemicals by Chemical Classification
  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. P - Bioactive Small Molecules
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. P - Alphabetic
  5. PON - PT - P
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Food & Beverage Standards - Chromatography
  5. Nutraceuticals - Food & Beverage Standards
  6. Flavors and Fragrances - Nutraceuticals
  7. M-R - Flavors and Fragrances
  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
  1. Functional Group 官能团索引
  2. 1,2-diphenol
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Hematology and Histology
  4. Histology Special Stains
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Hemotology and Histology
  4. Histology Special Stains
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Nitric Oxide and Cell Stress
  5. Cell Stress

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