2-Hydroxypropane-1,2,3-tricarboxylic acid;iron(3+) | 1185-57-5

• 物质功能分类: 食品添加剂 - 抗结剂
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-Hydroxypropane-1,2,3-tricarboxylic acid;iron(3+)
• 英文别名: 2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+)
• CAS: 1185-57-5
• 化学式: C6H8FeO7+3
• 分子量: 247.97
• InChiKey: NPFOYSMITVOQOS-UHFFFAOYSA-N

物化性质

• 熔点：
  >193°C (dec.)
• 沸点：
  498℃[at 101 325 Pa]
• 密度：
  1.06[at 20℃]
• 溶解度：
  1200g/l
• 暴露限值：
  ACGIH: TWA 1 mg/m3NIOSH: TWA 1 mg/m3
• LogP：
  -0.737 at 25℃
• 物理描述：
  Ferric ammonium citrate is a yellowish brown to red solid with a faint odor of ammonia. It is soluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. It is used in medicine, in making blueprints, and as a feed additive.
• 分解：
  When heated to decomposition it emits acrid smoke and irritating fumes.
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，也未有已知危险反应，应避免与氧化物接触。 本品是由铁、铵和柠檬酸组成的结构不明的络盐，在不同制造条件下具有多种组成。其外观可能为棕色、绿色或酱红色透明薄片或颗粒，或者呈现为棕黄色粉末。无明显气味，但会稍带氨味和温和的铁金属味。在空气中易潮解并容易生霉。本品极易溶于水（1克溶解于0.5毫升水中），其水溶液接近中性，不溶于乙醇和乙醚。5%浓度的水溶液pH值约为5.0～8.0。

计算性质

• 辛醇/水分配系数(LogP)：
  -1.25
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  132
• 氢给体数：
  4
• 氢受体数：
  7

ADMET

毒理性

• 相互作用

当前研究调查了褪黑素是否能够改变在皮质内注射1.0微升1.0毫摩尔/升柠檬酸铁铵（FAC）或0.9%生理盐水后24小时内死亡的神经元的比例。接受褪黑素系统输注（5毫克/千克体重/天）的大鼠在FAC引起的神经元死亡比例上显示了40%的减少（P=0.019）。相比之下，通过持续光照降低内源性褪黑素并没有显著影响神经细胞死亡的程度。此外，提高或降低褪黑素水平也没有改变由生理盐水注射导致的神经元死亡数量。

...The present study has investigated whether melatonin can alter the proportion of neurons that die in the 24 hr period following 1.0 microL intracortical injections of 1.0 mM ferric ammonium citrate (FAC) or 0.9% saline. Rats which received systemic infusions of melatonin (5 mg/kg bw/day) displayed a 40% reduction (P=0.019) in the proportion of neurons killed by FAC. By contrast, reduction of endogenous melatonin by continuous light exposure did not significantly affect the extent of neuronal death. Furthermore, elevated or reduced melatonin levels did not alter the number of neurons killed by saline injections.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 相互作用

无特定病原体的雄性Fischer-344大鼠每天接受40毫克/千克体重的柠檬酸铁铵（FAC）的腹腔注射，体积为1毫升/千克，或等量的生理盐水。从第四天开始，大鼠通过仅鼻腔吸入的方式，每天暴露于硫酸铍（BeSO4）气溶胶2小时。到第15天，BeSO4加生理盐水组的死亡率达到了80%，而BeSO4加FAC组的死亡率为33%。随后停止暴露。到第18天，BeSO4加生理盐水组的大鼠全部死亡，而BeSO4加FAC组的累积死亡率仅为66%。到第19天，该组的死亡率达到了最大值76%。

...Specific pathogen free male Fischer-344-rats received daily intraperitoneal injections of ferric-ammonium-citrate (FAC) at 40 mg/kg bw at 1 mL/kg or an equal volume of saline. Beginning on day four, rats were simultaneously exposed to an aerosol of beryllium-sulfate (BeSO4) for 2 hr/day through nose only inhalation. By day 15, mortality was 80% in the BeSO4 plus saline group as compared to 33% in the BeSO4 plus FAC group. Exposure was then discontinued. By day 18, all rats in the BeSO4 plus saline group had died, while the cumulative mortality for the BeSO4 plus FAC group was only 66%. By day 19, mortality in this group had reached a maximum of 76%.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 相互作用

老年斑是阿尔茨海默病（AD）的主要神经病理学病变，主要由淀粉样-β肽组成，并含有高浓度的铁（1.0 mM）。/之前的研究/表明，向成年大鼠皮层内注射1.0 mM铁比对照组的生理盐水注射会导致显著的神经元损失，而注射淀粉样-β则不会。因为铁已被证明可以增加淀粉样-β的体外毒性，所以本研究旨在确定铁是否可以使淀粉样-β在体内具有神经毒性。/淀粉样-β/和1.0 mM铁（作为柠檬酸铁铵）一起注射到大鼠大脑皮层，神经元损失与纯/淀粉样-β/或纯铁产生的损失进行了比较。比较了人类和大鼠的/淀粉样-β/1-42变体，以确定它们与铁结合时是否产生相同数量的神经元损失。与/淀粉样-β/单独注射相比，铁与任一/淀粉样-β/变体共同注射导致显著的神经元损失增加，这表明铁可能有助于老年斑相关的毒性。大鼠/淀粉样-β/1-42与铁结合的毒性相当于铁单独注射，而铁与人类/淀粉样-β/1-42结合的毒性显著较低。

Senile plaques, the major neuropathological lesions of Alzheimer's disease (AD), are composed primarily of amyloid-beta ... peptide and contain high concentrations of iron (1.0 mM). /It was/ previously shown that intracortical injections of 1.0 mM iron to adult rats produce significantly more neuronal loss than control injections of saline vehicle, whereas injections of /amyloid-beta/ do not. Because iron has been shown to increase the in vitro toxicity of /amyloid-beta/, the present study was undertaken to determine whether iron can make /amyloid-beta/ neurotoxic in vivo. /Amyloid-beta/ and 1.0 mM iron (as ferric ammonium citrate) were coinjected into rat cerebral cortex, and the neuronal loss was compared with that produced by pure /amyloid-beta/ or pure iron. The human and rat variants of /amyloid-beta/1-42 were compared to determine whether they produce the same amount of neuronal loss when combined with iron. Coinjection of iron with either /amyloid-beta/ variant caused significantly more neuronal loss than /amyloid-beta/ peptide alone, suggesting that iron may contribute to the toxicity associated with senile plaques. Rat /amyloid-beta/1-42 combined with iron was as toxic as iron alone, whereas iron combined with human /amyloid-beta/1-42 was significantly less toxic.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

处理接触：摄入：给予大量水。眼睛或皮肤：用水冲洗。

Treatment of Exposure: Ingestion: give large amount of water. Eyes or skin: flush with water.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

基本治疗：建立专利气道。如有必要，进行吸痰。观察呼吸不足的迹象，如有必要，协助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测休克并视需要进行治疗……。对于眼睛污染，立即用水冲洗眼睛。在运输过程中，用生理盐水连续冲洗每只眼睛……。不要使用催吐剂。对于摄入，如果患者能够吞咽，有强烈的呕吐反射，且不流口水，则用水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释。/铁及其相关化合物/

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. /Iron and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

人体对铁的吸收和内源性排泄通过监测稳定铁同位素（58Fe）的粪便排泄进行了研究。研究在12名健康志愿者中进行，他们被分成两组。第一组作为对照组，接受了相当于6毫克铁的58Fe标记的三价铁柠檬酸铵（III）（58FeAC），第二组接受了500毫克维生素C和58FeAC的联合使用。使用了一个新的公式来计算反映肠道细胞中铁池的58Fe吸收率，并将其与Janghorbani公式得到的比率进行了比较，后者一直是常用的方法之一。结果显示，使用Janghorbani公式，第二组的58Fe吸收率在统计学上显著高于第一组（34.4 +/- 6.1% 对 15.0 +/- 5.5%，平均值 +/- 标准差）。我们的新公式也得到了类似的吸收率（34.1 +/- 6.0% 对 14.8 +/- 5.5%）。我们的结果证实了先前的发现，即铁的可用性可以通过补充维生素C来刺激。两个公式在铁的吸收上是一致的，表明肠道中由脱落的细胞引起的铁的内源性排泄并不会掩盖铁的吸收。

The absorption and endogenous excretion of iron in man was studied by monitoring the fecal excretion of a stable iron isotope (58Fe). The study was carried out for 12 healthy volunteers who were divided into two groups. Group I received 58Fe-labeled ferric ammonium citrate (III) (58FeAC) equivalent to 6 mg of iron as a control, and group II received a combination of 500 mg of vitamin C and 58FeAC. A new formula was used to calculate the 58Fe absorption ratio reflecting the pool of iron in the intestinal cells, and the ratio was compared with that obtained from Janghorbani's formula, which has been used as one of the common methods. As a result, the 58Fe absorption ratio in group II was statistically significantly higher than that of group I (34.4 +/- 6.1% vs. 15.0 +/- 5.5%, M +/- SD) using Janghorbani's formula. The similar absorption ratio (34.1 +/- 6.0% vs. 14.8 +/- 5.5%) was also obtained by our new formula. Our results confirmed the previous findings that the availability of iron is stimulated by the supplementation of vitamin C. Both formulae agreed in the absorption of iron, indicating that the endogenous excretion of iron (caused by the desquamated cells) in the intestine does not disguise the iron absorption.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

评估了一种商业品牌的小颗粒还原铁在10名正常受试者中的吸收情况。对于每位受试者，使用血红蛋白结合法来测量从硫酸亚铁或柠檬酸亚铁中吸收60毫克铁的真实吸收量。铁耐量测试（ITT）也用于研究这两种化合物以及还原铁。此过程包括在6小时内特定时间测量血浆铁升高的曲线下面积，或者通过测量缓慢静脉注射0.4毫克铁（作为柠檬酸铁）后4小时内特定时间的血浆铁消失速率来校正的血浆铁峰值。仅使用ITT来测量60毫克还原铁的吸收。在每位受试者中测量了参考剂量铁抗坏血酸的吸收。将柠檬酸亚铁和还原铁的吸收量表示为剂量的百分比，也作为相对于硫酸亚铁的吸收百分比。参考剂量、FeSO4和柠檬酸亚铁的平均几何“真实吸收百分比”分别为39.0、10.4和2.4。后者是FeSO4的23%。通过ITT，FeSO4、柠檬酸亚铁和还原铁的平均几何吸收百分比分别为7.9、3.7和3.2，或者分别是FeSO4的47%和41%。我们建议，测试的商业品牌还原铁的真实吸收量是基于还原铁的ITT结果与柠檬酸亚铁相对于FeSO4的ITT和真实吸收值之间的关系，是FeSO4的20%。

The absorption of a commercial brand of small-particle reduced iron was evaluated in 10 normal subjects. For each subject, the hemoglobin incorporation method was used to measure the true absorption of 60 mg of iron from either ferrous sulfate or ferric ammonium citrate. The iron tolerance test (ITT) was also studied for these two compounds and for reduced iron. This procedure consisted of measuring the area under the curve of plasma iron elevations at specified times for 6 hours, or the peak plasma iron, corrected by the plasma iron disappearance rate obtained from measuring plasma iron at specified times for 4 hours after the slow intravenous injection of 0.4 mg of iron as ferric citrate. Only the ITT was used to measure the absorption of 60 mg of reduced iron. Reference dose iron ascorbate absorption was measured in each subject. The absorption of ferric ammonium citrate and reduced iron was expressed as percent of dose and also as absorption percent of that of ferrous sulfate. Mean % geometric "true absorptions" were 39.0 for reference dose, 10.4 for FeSO4 and 2.4 for ferric ammonium citrate. The later was 23% that of FeSO4. By ITT the mean geometric % absorptions were 7.9, 3.7 and 3.2 for FeSO4, ferric ammonium citrate and reduced iron respectively, or 47 and 41% of that of FeSO4. We propose that the true absorption of the commercial brand of reduced iron tested was 20% that of FeSO4 based on the relation between the ITT results of reduced iron and the ITT and true absorption values of ferric ammonium citrate in relation to FeSO4.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• WGK Germany：
  1,3
• 海关编码：
  29181500,2918150000
• 危险品运输编号：
  UN 9118
• RTECS号：
  GE7540000

SDS

Name:	Ammonium Iron(III)-Citrate Material Safety Data Sheet
Synonym:	Ferric Ammonium Citrate, Citric Acid Ammonium Iron (3+) Salt
CAS:	1185-57-5

Section 1 - Chemical Product MSDS Name:Ammonium Iron(III)-Citrate Material Safety Data Sheet
Synonym:Ferric Ammonium Citrate, Citric Acid Ammonium Iron (3+) Salt

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1185-57-5	FERRIC AMMONIUM CITRATE	100	214-686-6

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause irritation, pain, blurred vision, and possible burns.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. Inorganic iron compounds may cause gastrointestinal irritation and damage, vomiting, pulmonary edema, convulsions, rapid heart beat and low blood pressure. Ingestion of iron compounds may cause hemorrhage and necrosis of the stomach with shock, severe diarrhea, and possible coma.
Inhalation:
May cause respiratory tract irritation.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Antidote: The use of Deferoxamine as a chelating agent should be determined only by qualified medical personnel.

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Do not store in direct sunlight. Keep containers tightly closed.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
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 protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29CFR 1910.134 or European Standard EN 149. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Appearance: yellow to green
Odor: None reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Decomposes.
Freezing/Melting Point: Decomposes.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Soluble.
Specific Gravity/Density: 1.8 @ 20C
Molecular Formula: Mixture
Molecular Weight: 0

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents - light.
Hazardous Decomposition Products:
Ammonia.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1185-57-5: GE7540000 LD50/LC50:
Not available.
Carcinogenicity:
FERRIC AMMONIUM CITRATE - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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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.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 1185-57-5: No information available.
United Kingdom Occupational Exposure Limits
Canada
CAS# 1185-57-5 is listed on Canada's DSL List.
CAS# 1185-57-5 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
CAS# 1185-57-5: OEL-DENMARK:TWA 1 mg(Fe)/m3 JANUARY 1993
OEL-FINLAND:TWA 1 mg(Fe)/m3 JANUARY 1993
OEL-THE NETHERLANDS:TWA 1 mg(Fe)/m3 JANUARY 1993
OEL-SWITZERLAND:TWA 1 mg(Fe)/m3 JANUARY 1993
OEL-UNITED KINGDOM:TWA 1 mg(Fe)/m3;STEL 2 mg(Fe)/m3 JANUARY 1993
US FEDERAL
TSCA
CAS# 1185-57-5 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

根据提供的信息，以下是关于柠檬酸铁铵的一些关键点：

性质和用途

• 性质：柠檬酸铁铵是一种无色或淡黄色结晶性粉末。它具有一定的毒性。

• 用途：

  • 食品工业中用作营养增补剂、抗贫血用铁剂等。
  • 在制药行业可作为抗结剂和铁质强化剂。
  • 照相业中的感光材料，如制作蓝色晒图纸。
  • 生物化学领域用于细菌培养基。

制备方法

1. 制备氢氧化铁：

   • 将硫酸亚铁溶解于水中，在搅拌下徐徐加入硫酸，再加入氯酸钠水溶液。反应完成后生成氢氧化铁沉淀。

2. 柠檬酸铁铵的制备：

   • 将上述制得的氢氧化铁与柠檬酸、氨水混合加热至一定温度，通过一系列化学反应得到柠檬酸铁铵。

3. 具体步骤如下：

   • 氢氧化铁溶解于柠檬酸中，再经浓缩和干燥过程获得最终产物。

安全注意事项

• 毒性：属于中毒级别物质。
• 储存与运输：需要低温、通风、干燥的环境。
• 灭火方法：使用水、二氧化碳或干粉灭火器进行灭火。

生产工艺细节

1. 采用硫酸亚铁为原料，通过一系列化学反应制备柠檬酸铁铵，并详细说明了具体操作步骤及条件控制要求。

综上所述，柠檬酸铁铵是一种多功能化学品，在多个领域都有广泛应用，但其生产与使用过程中需要注意安全措施。