酒石酸氢钠(一水)

酒石酸氢钠(一水) 基本信息
CAS号 526-94-3 分子式 C4H5NaO6
分子量 172.06900 精确质量 　171.99800
PSA 　117.89000 LogP 　-3.45730
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等价的CAS号：

526-94-3,868-18-8,4504-50-1,14475-11-7,21106-15-0,21348-52-7,21595-79-9,22476-77-3,25817-08-7,51307-92-7,60131-40-0,64183-71-7,109175-69-1
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
526-94-3
3D弹球模型：
立即前往扯扯看
分子式：
C4H5NaO6
分子量：
172.06900
中文名称：
酒石酸氢钠(一水)
英文名称：
Sodium Bitartrate
中文别名：
酒石酸氢钠(一水);
酒石酸氢钠,一水;
重酒石酸钠;
酒石酸氢钠;
酒石酸氢钠,单水合物;
L-酒石酸氢钠;
酒石酸氢钠单水合物
英文别名：
Sodium Bitartrate;
sodium,2,3,4-trihydroxy-4-oxobutanoate;
Sodium bitartrate monohydrate;
Sodium hydrogen tartrate
精确分子量/精确质量：
171.99800
极性分子表面积/PSA：
117.89000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00065393
EINECS：
208-400-9
BRN：
6099125
InChI：
InChI=1/C4H6O6.Na.H2O/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;1H2/q;+1;/p-1

生产制备方法及用途展开↓

制备方法

1.将酒石酸溶于水,一部分溶液加入十水合碳酸钠中和,经过滤,将滤液加入剩余部分酒石酸溶液中,抽滤析出结晶,于室温下干燥,即得酒石酸氢钠。 2.由酒石酸与氢氧化钠或碳酸钠作用而制得。反应式为:

合成制备方法

1.将酒石酸溶于水，一部分溶液加入十水合碳酸钠中和，经过滤，将滤液加入剩余部分酒石酸溶液中，抽滤析出结晶，于室温下干燥，即得酒石酸氢钠。

2.由酒石酸与氢氧化钠或碳酸钠作用而制得。反应式为：

用途简介

可作生化试剂。

用途

1.用作分析试剂，也用于检定钾。培养基的制备

 

物化性质展开↓

外观与性状：
白色结晶粉末
熔点：
253 °C (dec.)(lit.)
沸点：
399.3ºC at 760mmHg
闪点：
209.4ºC
存储条件/存储方法：

1.储存于阴凉、干燥、通风良好的库房。

2.远离火种、热源。防止阳光直射。包装密封。

3.应与酸类、食用化学品分开存放，切忌混储。储区应备有合适的材料收容泄漏物。

稳定性相关：

按规格使用和贮存，不会发生分解，避免与氧化物接触

其它信息：

1.       性状：无色结晶或白色结晶性粉末

2.       密度（g/ cm3,25/4℃）：未确定

3.       相对蒸汽密度（g/cm3,空气=1）：未确定

4.       熔点（ºC）：253

5.       沸点（ºC,常压）：未确定

6.       沸点（ºC,8kPa）：未确定

7.       折射率：未确定

8.       闪点（ºC）：未确定

9.       比旋光度（º）：未确定

10.    自燃点或引燃温度（ºC）：未确定

11.    蒸气压（kPa,25ºC）：未确定

12.    饱和蒸气压（kPa,55.1ºC）：未确定

13.    燃烧热（KJ/mol）：未确定

14.    临界温度（ºC）：未确定

15.    临界压力（KPa）：未确定

16.    油水（辛醇/水）分配系数的对数值：未确定

17.    爆炸上限（%,V/V）：未确定

18.    爆炸下限（%,V/V）：未确定

19.    溶解性：溶于水，不溶于乙醇,水溶液呈碱性。

安全信息展开↓

海关代码：
2918199090
WGK_Germany：
2
德国有关水污染物质的分类清单
安全说明：
S22-S24/25
RTECS号：
WW8225000
安全标志：
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

  • 6381-59-5

    酒石酸钾钠四水合物

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  • 6381-59-5

    酒石酸钾钠四水合物

  • →

  • 526-94-3

    酒石酸氢钠(一水)

  • +

  • 4958-46-7

    potassium racemate*2H2O

  • 868-14-4

    酒石酸氢钾

  • →

  • 526-94-3

    酒石酸氢钠(一水)

  • 6381-59-5

    酒石酸钾钠四水合物

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  • 526-94-3

    酒石酸氢钠(一水)

化学图谱

  1. 酒石酸氢钠,一水红外图谱(IR1)

  2. 酒石酸氢钠,一水红外图谱(IR2)

  3. 酒石酸氢钠,一水核磁图(13CNMR)

  4. 酒石酸氢钠,一水Raman光谱

  5. 酒石酸氢钠,一水核磁图(1HNMR)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WW8225000
CHEMICAL NAME :
Tartaric acid, monosodium salt
CAS REGISTRY NUMBER :
526-94-3
LAST UPDATED :
199709
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C4-H5-O6.Na
MOLECULAR WEIGHT :
172.08
WISWESSER LINE NOTATION :
QVYQYQVQ &-NA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3 gm/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: 25,467,1925
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4360 mg/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,512,1974
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Kidney, Ureter, Bladder - interstitial nephritis
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: 25,467,1925
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Kidney, Ureter, Bladder - other changes
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: 31,1,1942 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X8973 No. of Facilities: 30 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 447 (estimated) No. of Female Employees: 179 (estimated)
毒理学数据：

急性毒性：大鼠经皮下LDLo：3gm/kg，除致死剂量外无详细说明；

小鼠经口LC50：4360mg/kg，除致死剂量外无详细说明；

小鼠经皮下LCLo：1gm/kg，肾，输尿管，膀胱-间质性肾炎；

兔子经皮下LDLo：1gm/kg，除致死剂量外无详细说明；

兔子经静脉LDLo：200mg/kg，行为-惊厥或癫痫，对肾，输尿管，膀胱引起其他变化；

生态数据：

该物质对环境可能有危害，对水体应给予特别注意。

MSDS 展开↓

Name: Sodium Hydrogen Tartrate Monohydrate Material Safety Data Sheet
Synonym: Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, monosodium salt, monohydrate; Sodium hydrogen tartrate monohydrate
CAS: 526-94-3
Section 1 - Chemical Product   MSDS Name:Sodium Hydrogen Tartrate Monohydrate Material Safety Data Sheet
Synonym:Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, monosodium salt, monohydrate; Sodium hydrogen tartrate monohydrate
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
526-94-3 Sodium bitartrate monohydrate 100 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract.
Inhalation:
May cause respiratory tract irritation.
Chronic:
May cause kidney damage.
Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Dusts may be combustible when exposed to heat, flame, or oxidizing agents.
Extinguishing Media:
For small fires, use water spray, dry chemical, carbon dioxide or chemical foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid breathing dust.
Storage:
Store in a cool, dry, well-ventilated area away from incompatible substances.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 526-94-3: CAS# 6131-98-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystalline powder
Color: white
Odor: none reported
pH: acidic in solution
Vapor Pressure: Not applicable.
Viscosity: Not applicable.
Boiling Point: Not applicable.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 426 deg F
Solubility in water: Soluble.
Specific Gravity/Density: Not available.
Molecular Formula: C4H6O6.Na.H2O
Molecular Weight: 190.09
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
High temperatures, dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 526-94-3: WW8225000 CAS# 6131-98-2 unlisted.
LD50/LC50:
CAS# 526-94-3: Oral, mouse: LD50 = 4360 mg/kg.
CAS# 6131-98-2.
Carcinogenicity:
Sodium hydrogen tartrate, anhydrous - Not listed by ACGIH, IARC, or NTP.
Sodium bitartrate monohydrate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.
Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 526-94-3: 1
CAS# 6131-98-2: No information available.
Canada
CAS# 526-94-3 is listed on Canada's DSL List.
CAS# 526-94-3 is not listed on Canada's Ingredient Disclosure List.
CAS# 6131-98-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 526-94-3 is listed on the TSCA inventory.
CAS# 6131-98-2 is not on the TSCA Inventory because it is a hydrate.
It is considered to be listed if the CAS number for the anhydrous form
is on the inventory (40CFR720.3(u)(2)).

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2918199090

概述：
HS: 2918199090. 其他含醇基但不含其他含氧基羧酸（包括其酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据

暂无

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:3

3.氢键受体数量:6

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积118

7.重原子数量:11

8.表面电荷:0

9.复杂度:157

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:2

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:2

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