o-Sulfobenzimide 糖精

CAS 81-07-2 MFCD00005866

化学结构图

81-07-2
SMILES: O=C1NS(=O)(=O)c2ccccc21

化学属性

Mol. FormulaC7H5NO3S
Mol. Weight183.18
Melting Point226-229°C
Density1.557
TSCAYes
Solubility3.3 G/L (20 ºC)
Appearance 无色至白色结晶或白色结晶性粉末，无臭或稍有香气。味极甜，稀释10000倍的水溶液仍有甜味。其稀溶液的甜度约为蔗糖的500倍，后味微苦。熔点228℃(分解)。饱和水溶液0.25%)呈酸性(pH值2.0)。在酸性条件下(pH值3.8以下)很不稳定(分解)。遇碱或其水溶液加热均可使之分解(碱比酸稳定)。微溶于水(25℃,1g/290ml；沸水，1g/25m1)而溶于碱性溶液(氨、氢氧化碱、碳酸碱等)。略溶于乙醇(1g/31m1)，微溶于氯仿和乙醚。
Stability对湿度敏感

别名和识别编码

Chemical Nameo-Sulfobenzimide
CAS Number81-07-2
Alfabeta NameDIOXODIHYDROLAMBDA*BENZOISOTHIAZOLONE *D1112163[]--------,,
MDL NumberMFCD00005866
Synonym Saccharin {LY} Saccharin {} {LY} Saccharin {} {} {LY} Saccharin {} {} {} {LY} Saccharin {} {} {} {} {LY} Saccharin {} {} {} {} {} {LY} Saccharin {} {} {} {} {} {} {LY} Saccharin {} {} {} {} {} {} {} {LY} Saccharin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Saccharin {} {} {} {} {} {} {} {} {} {LY} Saccharin {} {} {} {} {} {} {} {} {} {} {LY} Saccharin {} {} {} {} {} {} {} {} {} {} {} {LY} Saccharin {} {} {} {} {} {} {} {} {} {} {} {} {LY} Saccharin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Saccharin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Saccharin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Saccharin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Saccharin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID5143
Beilstein Registry Number6888
EC Number201-321-0
Merck Number8311
Reaxys-RN6888
Chemical Name Translation糖精
Wiswesser Line NotationT56 BSWMVJ
LabNetwork Molecule IDLN00137415
InChIInChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
Canonical SMILESO=C(C1=C2C=CC=C1)NS2(=O)=O
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分类

  • {SNA} Analytical Stan
  • {SNA} Analytical Standards, Chromatography, EP Standards, EP Standards S - T, Pharmaceutical Standards, Pharmacopeia Standards, 分析/色谱
  • Heterocycles
  • {uni_hamburg} no charge; sulfur heterocycle; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; amide; lactame; 1fragment
  • Sulfur & Selenium Compounds
  • {SNA} Additional Standards, Analytical Standards,
  • {SNA} Analytical Standards, Analytical/Chromatography, Melting Point Standards, Phy
  • {SNA} Analytical Standards, Pharmacopeia Metrological Institutes Standards, USP Standards, USP Standards S - T, 分析/色谱
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, Pharmaceutical Secondary Standards, Pharmaceutical Standards
  • Pharmaceuticals
  • {S
  • Intermediates & Fine Chemicals
  • {SNA} Analytical
  • {SNA} Building Blocks,

产品应用

  • Usually used in high performance liquid chromatographic method for the simultaneous separation and determination of acesulfame potassium, saccharine and aspartame;and also used in sweet preference test of rats.

相关文献及参考

  • Arnold, D.L., et al.: Fundam. Appl. Toxicol., 4, 674 (1984),
  • Short: IV/1a
  • Taylor, J.D., et al.: Food Cosmet. Toxicol., 6, 313 (1968),
  • Merck: 14,8311
  • Short: III/5a
  • Short: III/10a
  • Short: IV/8A
  • Merck: 14,8311 Beilstein:27(1)266

安全信息

Warnings IRRITANT
RTECSDE4200000
WGK Germany2
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
UN Number 3077 UN 3077 9/PG 3
Risk Statements
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
  • R62 Possible risk of impaired fertility 有削弱生殖能力的危险
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
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            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 80 mg/kg
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Kidney, Ureter, Bladder - tumors
REFERENCE :
   BJCAAI British Journal of Cancer.  (Macmillan Press Ltd., Houndmills,
   Basingstoke, Hants. RG21 2XS, UK)  V.1-    1947-  Volume(issue)/page/year:
   11,212,1957

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 9600 mg/kg/10W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   BJCAAI British Journal of Cancer.  (Macmillan Press Ltd., Houndmills,
   Basingstoke, Hants. RG21 2XS, UK)  V.1-    1947-  Volume(issue)/page/year:
   10,363,1956

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 548 gm/kg/1Y-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Endocrine - thyroid tumors
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: 24,197,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2008 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
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: 40,583

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 17 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EXPEAM Experientia.  (Birkhaeuser Verlag, POB 133, CH-4010 Basel,
   Switzerland)  V.1-    1945-  Volume(issue)/page/year: 35,1364,1979

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 168 gm/kg/24W (Continuous)
REFERENCE :
   IJEBA6 Indian Journal of Experimental Biology.  (Publications & Information
   Directorate, CSIR, Hi

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 2 mg/plate
REFERENCE :
   SCIEAS Science.  (American Assoc. for the Advancement of Science, 1333 H
   St., NW, Washington, DC 20005)  V.1-    1895-  Volume(issue)/page/year:
   198,944,1977

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 100 pmol/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 5,1547,1984

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 3 mmol/L
REFERENCE :
   SinJF# Personal Communication from J.F. Sina, Merck Institute for
   Therapeutic Research, West Point, PA 19486, Oct. 26, 1982
   Volume(issue)/page/year: 26OCT1982

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Rodent - rat Cells - not otherwise specified
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   ICDBEO In Vitro Cellular and Developmental Biology.  (Tissue Culture Assoc.,
   19110 Montgomery Village Ave., Suite 300, Gaithersburg, MD 20879) V.21-   
   1985-  Volume(issue)/page/year: 21,402,1985

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 100 mg/L
REFERENCE :
   BJCAAI British Journal of Cancer.  (Macmillan Press Ltd., Houndmills,
   Basingstoke, Hants. RG21 2XS, UK)  V.1-    1947-  Volume(is

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 252 gm/kg
SEX/DURATION            : multigenerations
TOXIC

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 16800 mg/kg
SEX/DURATION            : multigenerations
TOXIC EFFECTS :
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lutea)
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 8,285,1977

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 155 mg/kg
SEX/DURATION            : female 7 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   IIZAAX Iwate Igaku Zasshi.  Journal of the Iwate Medical Association.  (c/o
   Iwate Ika Daigaku, 19-1 Uchimaru, Morioka, 020, Japan)  V.1-    1947-
   Volume(issue)/page/year: 16,330,1964

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 252 gm/kg
SEX/DURATION            : multigenerations
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - weaning or lactation index (e.g., #
   alive at weaning per # alive at day 4)
REFERENCE :
   DBTEAD Diabete.  (Le Raincy, France)  V.1-22, 1953-74.  Discontinued.
   Volume(issue)/page/year: 17,103,1969

GHS Symbol
Hazard Codes 9
Signal word Danger
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P305+P351+P338
Packing GroupIII

其他信息

  • 下游产品:3-(4-甲氧基-6-甲基-1
  • MOL 文件:81-07-2.mol
  • 图谱信息:糖精(81-07-2)质谱(MS) 糖精(81-07-2)红外图谱(IR2) 糖精(81-07-2)红外图谱(IR1) 糖精(81-07-2)核磁图( 1 HNMR)
  • Sigma Aldrich:81-07
  • 参考质量标准:FAO/WHO，1992 含量(干基计)/% 99~101 干燥失重(105℃，2h) ≤1% 熔程/℃ 226~230 苯甲酸和水杨酸试验 阴性 易碳化物试验 正常 硫酸盐灰分(GT-5) ≤0.2% 甲苯磺酰胺
  • {Chemical
  • 上游原料:亚硝酸钠 --> 氨 --> 次氯酸钠 --> 硫酸铜 --> 氨茴酸甲酯 --> 2-(氯磺酰基)苯甲酸甲酯 --> 邻氨基联苯 --> 碘化钾淀粉试纸 --> 墨绿 --> 氯苯甲酸
  • 糖精价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0004 邻磺酰苯甲酰亚胺 o-Sulfobenzimide 500G 537元 2014/06/02 B0004 邻磺酰苯甲酰亚胺 o-Sulfobenzimide 25G 123元 2010/06/21 149001000 糖精 Saccharin 98+% 100 GR 267元
  • 毒性分级:低毒
  • TCI Shanghai:邻磺酰苯甲酰亚胺 o-Sulfobenzimide,>;99.0%(LC)(T)(81-07-2)
  • Acros Organics:糖精/邻磺酰苯甲酰亚胺 Saccharin, 98+%(81-07-2)
  • 含量分析:精确称取预经干燥的试样0.5g，溶于75ml热水。迅速冷却，加酚酞试液(TS-167)数滴，用0.1mol/L氢氧化钠滴定。每Ml0.1mol/L氢氧化钠相当于糖精(C7H5NO3S)18.32mg。
  • {Ch
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品
  • 用途四:磷酸转
  • 使用限量:FDA，§180．37(2000)：饮料、果汁、固体饮料，12mg/28.4lml液体，甜度相当于一汤匙的量为20mg；每一份规定大小的加工食品为30mg。 USDA，9CFR，§318．7(2000)：扎肉(培根)0.01%。
  • 方法二:其制备方法是由苯酐经胺化降解、重氮化、置换、氧化、酸析等步骤而得。将苯酐加入反应锅，加入0℃的氢氧化铵溶液，升温至50℃，加入氢氧化钠溶液，控制加碱速度，使温度保持在70℃以下，pH值保持在8.5～8.9。加碱结束，将pH值调节至12～13，在65～70℃保温0.5h，保温赶氨气35h，冷至-10℃，加入已预冷的-10℃的甲醇和-10℃的次氯酸钠溶液，在0℃以下反应45min，再逐渐升温至30℃，以碘化钾淀粉试纸测试应呈无色反应，然后加入适量亚硫酸氢钠水解。料液转稀后，加热至50℃，再加入80℃热水，搅拌溶解，静置后过滤，分取油层，得邻氨基苯甲酸甲酯。 将邻氨基苯甲酸甲酯和亚硝酸钠溶液搅拌混匀，滴加到重氮锅内的混酸中反应，开始滴加的温度10℃左右，反应温度不超过25℃，反应终点碘化钾淀粉液呈淡绿色。将此重氮反应液冷至10℃，加入硫酸铜溶解后通入SO 2 (约1h通完)，析出邻亚磺酸苯甲酸甲酯，用H酸试纸测试置换终点应显无色，
  • 方法三:由苯酐经胺化、降解、酯化、重氮化、置换、氯化、环合、酸析等步骤而得。（1）胺化、降解、酯化制备邻氨基苯甲酸甲酯。（2）重氮化、置换、氯化得邻磺氯苯甲酸甲酯。（3）环合、酸析得到不溶性糖精。
  • 毒性:ADI 0～5(ADI指糖精及其钙、钾、钠盐之和；FAO/WHO，2001)。 LD 50 14200mg/kg(大鼠，经口)。
  • {C
  • MSDS 信息:1,2-Benzisothiazol-3
  • 所属类别二:食品添加剂: 调味剂（风味增强剂）: 甜味剂
  • 所属类别一:农药中间体: 杀菌剂中间体: 其他类杀菌剂
  • 所属类别二:食品添加

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Physical Properties - Analytical Standards
  4. Melting Point Standards - Physical Properties
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiazines 噻嗪
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiazoles 噻唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环

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