CAS 1401-55-4 MFCD00066397-Gallotannin 单宁酸 TAO{mole}

Gallotannin 单宁酸

CAS 1401-55-4 MFCD00066397

化学结构图

SMILES: O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1

化学属性

Mol. Formula	C76H52O46
Mol. Weight	1701.21
Autoignition Point	980 °F
Melting Point	No Data Available
Flash Point	-
Solubility	Soluble in water, warm glycerol, alcohol, acetone
TSCA	Yes
Density	2.12
Stability	对光敏感
Boiling Point

别名和识别编码

Chemical Name	Tannic Acid
MDL Number	-
CAS Number	1401-55-4
Synonym	(2S,3R,4S,5R,6R)-3,4,5-tris(3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy)-6-((3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy)methyl)oxan-2-yl 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoate Acid, Tannic Acids, Tannic Castanea sativa Mill tannin Gallotannic Acid Gallotannic acid Gallotannin Glycerite TERRI PODS GALLOTANNIN Tannic Acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number	8186396
PubChem Substance ID	16129778
EC Number	215-753-2
Merck Number	14,9052
Chemical Name Translation	单宁酸
LabNetwork Molecule ID	LN01300301
InChI	InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1
Canonical SMILES	-

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产品应用

铍、铝、镓、铟、铌、钽和锆的沉淀和重量测定。铜、铁、钒、铈和钴的比定测定。蛋白质及生物碱的沉淀剂。钼酸铵滴定铅时的外指示剂。染料媒染剂。

安全信息

WGK Germany2

Precautionary statements

P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P264+P265
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。
P305+P351+P338
P337+P313
P337+P317
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H319 Causes serious eye irritation 严重刺激眼睛
H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。

RTECSWW5075000

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Storage condition +4°C 4 4°C 4°C, Hygroscopic 4℃ Air & Light Sensitive 避光保存

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

Risk Statements

R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
R62 Possible risk of impaired fertility 有削弱生殖能力的危险
R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
R52/53

Hazard Codes Xi,Xn

GHS Symbol

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4450 mg/kg/17W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - hepatitis, fibrous (cirrhosis, post-necrotic scarring)
   Liver - other changes
REFERENCE :
   AMSHAR Acta Morphologica Academiae Scientiarum Hungaricae.  (Budapest,
   Hungary)  V.1-30, 1951-82.  Volume(issue)/page/year: 3,353,1953

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 750 mg/kg/12W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
   Tumorigenic - tumors at site of application
REFERENCE :
   BJCAAI British Journal of Cancer.  (Macmillan Press Ltd., Houndmills,
   Basingstoke, Hants. RG21 2XS, UK)  V.1-    1947-  Volume(issue)/page/year:
   14,147,1960

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 350 mg/kg/12W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   BJCAAI British Journal of Cancer.  (Macmillan Press Ltd., Houndmills,
   Basingstoke, Hants. RG21 2XS, UK)  V.1-    1947-  Volume(issue)/page/year:
   14,147,1960

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4286 mg/kg/20W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - other changes
   Liver - tumors
REFERENCE :
   AMSHAR Acta Morphologica Academiae Scientiarum Hungaricae.  (Budapest,
   Hungary)  V.1-

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 75 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - hemorrhage
   Lungs, Thorax, or Respiration - respiratory depression
   Nutritional and Gross Metabolic - body temperature decrease
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: 77,63,1943

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >1600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPPMAB Journal of Pharmacy and Pharmacology.  (Pharmaceutical Soc. of Great
   Britain, 1 Lambeth High St., London SEI 7JN, UK)  V.1-    1949-
   Volume(issue)/page/year: 9,98,1957

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 130 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPPMAB Journal of Pharmacy and Pharmacology.  (Pharmaceutical Soc. of Great
   Britain, 1 Lambeth High St., London SEI 7JN, UK)  V.1-    1949-
   Volume(issue)/page/year: 9,98,1957

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 5 gm/kg
TOXIC EFFECTS :
   Gastrointestinal - gastritis
   Lungs, Thorax, or Respiration - chronic pulmonary edema
REFERENCE :
   AJVRAH American Journal of Veterinary Research.  (American Veterinary
   Medical Assoc., 930 N. Meacham Rd., Schaumburg, IL

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 25 gm/kg
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 74,1283,1985

TYPE OF TEST            : DNA inhibition
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 76 mg/kg
REFERENCE :
   IJEBA6 Indian Journal of Experimental Biology.  (Publications & Information
   Directorate, CSIR, Hillside Rd., New Delhi 110 012, India)  V.1-    1963-
   Volume(issue)/page/year: 17,1141,1979

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 2 gm/kg
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 14,565,1976

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Subcutaneous
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 375 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 320,189,1994

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 5 mg/kg
SEX/DURATION            : female 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
REFERENCE :
   ENDOAO Endocrinology (Baltimore).  (Williams & Wilkins Co., 428 E. Preston
   St., Baltimore, MD 21203) V.1-    1917-  Volume(issue)/page/year:
   57,466,1955

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 112 gm/kg
SEX/DURATION            : female 49 day(s) pre-mating
                          female 1-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - live birth index (measured after birth)
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses
   Filiales.  (SPPIF, B.P.22, F-41353 Vineuil, France)  V.1-    1849-
   Volume(issue)/page/year: 172,470,1978

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 1478 gm/kg
SEX/DURATION            : male 11 week(s) pre-mating
                          female 11 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - live birth index (measured after birth)
   Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
   per # born alive)
   Reproductive - Effects on Newborn - weaning or lactation index (e.g., #
   alive at weaning per # alive at day 4)
REFERENCE :
   CPGPAY Comparative and General Pharmacology.  (Oxford, UK)  V.1-5, 1970-74.
   For publisher information, see GEPHDP.  Volume(issue)/page/year: 4,393,1973

其他信息

工业单宁酸和药用单宁酸的作用:单宁酸主要用作染色中的媒染剂，也用以制取棓酸、焦棓酸，还可以制造皮革鞣剂、橡胶凝固剂、蛋白质和生物碱沉淀剂，以及测定铍、铝、镍、铜等金属的试剂。五倍子的水浸提液经蒸发、干燥而得的淡黄色至浅棕色的无定形粉末就是工业单宁酸，含单宁酸80％以上，还含少量的没食子酸、间双没食子酸、三没食子酸和五倍酰葡萄糖等。单宁酸是以1，3，4，6-四-O-没食子酰-2-多-O-没食子酰-β-D葡萄糖为核心，由1个分子的葡萄糖与8～9个没食子酸结合而成的酯。单宁酸易被酸或酶水解，水解产物为没食子酸和葡萄糖。工业单宁酸的主要作用如下： ①作没食子酸和焦性没食子酸原料。 ②媒染剂。用于纤维固色或染色，作盐基性染料。 ③矿石浮选剂。稀有金属冶炼，从铅锌矿或烟尘中提锗，从溶液中提取钍、钋等稀有金属，从黄铜矿中提铅和铜。 ④转化涂料。铝及其合金制板、钢铁、铜、锌表面防蚀等。 ⑤食品添加剂。如食品抗氧化剂、饮料澄清剂、高级墨水和油墨。 ⑥钻井泥浆稀释剂。 ⑦增效剂。合成2，4-二氨基-5-(3，4，5-三甲氧苄二氨嘧啶)(trimethoprimam)，简称TMP或磺胺增效剂。 ⑧除臭剂。用于冰箱、库房、厕所除氨气等臭味。此外，单宁酸还可以合成克冠二胺、克冠卓等心脏疾病用药；合成联苯双酯，治疗乙型肝炎；合成锑-273，治疗血吸虫病。单宁酸可抑制细菌生长及肠内毒素的吸收，可用于防治腹泻等。药用单宁酸可直接用于饮料、冷冻制品、糖果、冰淇淋、肉类制品；作烧伤、烫伤创面收敛剂、肠胃止血剂，防止感染；可制成鞣酸甘油、鞣酸蛋白、鞣酸软膏、防感冒剂(N-双脒基吗啉单宁酸盐)、健康促进剂、驱虫剂、杀虫剂、防辐射药剂、避孕药剂及特效牙膏等。
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五倍子:五倍子是由瘿绵蚜科的一些种蚜虫，寄生在漆树科盐肤木属
理化性质:单宁酸又称中国单宁、鞣酸、五棓子单宁酸。结构至今尚不清楚，一般认为是葡萄糖的五个羟基和没食子酰没食子酰基结合而成的酯。五倍子经过浸提，浓缩后即可制成工业用单宁酸。再经精制后可制成药用或试剂单宁酸。单宁酸为淡黄色无定形粉末或有光泽的鳞片状或海绵状固体。无特殊气味，有苦涩味，具收敛性。暴露于空气及日光中逐渐变黑。溶于冷水，在热水中能无限地溶解；能溶于甲醇、乙醇、丙酮和乙酸乙酯，不溶于苯、乙醚、氯仿、石油醚及二硫化碳中。单宁酸水溶液呈弱酸性，容易氧化，在碱性溶液中氧化更快，溶液颜色更深。遇三价铁离子，溶液呈蓝黑色，与白明胶、生物碱作用产生沉淀。与铅、铝、锌、锗等金属离子作用生成多核络合物，具有特殊颜色的不溶性盐类。单宁酸加热到210～215℃时分解为焦性没食子酸和CO2。单宁酸低毒，但大量摄取可引起呕吐、腹痛、腹泻，并可导致循环系统障碍致死，LD1006.0g/kg(家鼠，经口)。在高温下可分解生成连苯三酚和二氧化碳。市面上销售的单宁酸通常含10%水分。图1为单宁酸化学结构式以上信息由Chemicalbook的彤彤编辑整理
简史:公元734年(唐开元二十二年)，陈藏器在《本草拾遗》中已将五倍子列入药典。明李时珍著《本草纲目》中对五倍子有过“皮工造为百药煎，以染皂色，大为时用”的记载。1862年五倍子远到欧洲。1887年密尔仁斯克(S.Mierzinski)曾利用中国五倍子提取单宁作鞣料。1936年李福华等人著文介绍中国五倍子及其利用情况。1940年前后中国黄海化学工业社吴冰颜、魏文德、方心芳等人研究五倍子提取单宁与发酵制没食子酸的方法。同期，在上海、重庆两地设厂生产单宁酸和没食子酸。1957年上海仁记化工厂迁到五倍子产地贵州，在遵义市建成第二化工厂继续生产。1988年湖北应用新工艺、新设备在竹山县建成现代化单宁酸(系列产品)厂。河南、陕西、湖南、云南等省还有几家规模小的单宁车间，全国单宁酸厂(车间)年生产能力约3000吨。土耳其、秘鲁、委内瑞拉自18世纪30年代起，先后利用土耳其棓子(
图谱信息:单宁酸(1401-55-4)红外图谱(IR1) 单宁酸(1401-55-4)红外图谱(IR2) 单宁酸(1401-55-4)质谱(MS)
EPA化学物质信息:Tannins(1401-55-4)
FEMA:3042
稳定性:Stable. Incompatible with metallic salts, strong oxidizing agents, iron and other heavy metals.