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Home> Hot Product Listed 2   > 2-Butenedioicacid (2E)-, iron(2+) salt (1:1)

2-Butenedioicacid (2E)-, iron(2+) salt (1:1)

CAS No.:141-01-5
EINECS(EC#):205-447-7
Molecular Weight:169.90128
Molecular Formula:C4H2FeO4 (Products with the same molecular formula)
MOL File:141-01-5.mol
Names and Identifiers
Synonyms

Iron(II) fumarateIrconToliferFumaric acid, iron(2+) salt (1:1) (8CI)CpironFersamalErco-FerFerrous Fumarate EP PowderFumironIron fumarate (Fe(C4H2O4))FerrotempToleronTolferainFerroneOrgasalHeferolFumafer2-Butenedioicacid (2E)-, iron(2+) salt (1:1)Feostat2-Butenedioicacid (E)-, iron(2+) salt (1:1)Feroton

Inchi
InChI=1S/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/b2-1+;
InChkey
PMVSDNDAUGGCCE-TYYBGVCCSA-L
Canonical Smiles
C(=CC(=O)[O-])C(=O)[O-].[Fe+2]
Isomers Smiles
C(=C/C(=O)[O-])\C(=O)[O-].[Fe+2]
Properties
Appearance
red to brown powder
Density
2.435
Melting Point
>280℃
Boiling Point
°Cat760mmHg
Flash Point
°C
Water
moderate
Solubilities
moderate
Stability
Stability
Storage temp
Keep tightly closed in a cool place in a tightly closed container.
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
22-36/37/39
Safety
Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. Human systemic effects by ingestion: dyspnea, nausea or vomiting, somnolence. When heated to decomposition it emits acrid smoke and irritating fumes. See also FUMARIC ACID.
Transport
25kgs
Specification

The IUPAC name of Ferrous fumarate is (E)-but-2-enedioate; iron(2+). With the cas register number of 141-01-5, it is a orange red to reddish-brown powder with no odour and no taste. And its product categories are including organic-metal salt; pharmacopoeia (usp); pharmacopoeia a-z; carbonyl compounds; carboxylic acid salts; organic building blocks. This chemical is stable chemicallly.

The characteristics of this chemical are as below: (1)H-Bond Acceptor: 4; (2)Rotatable Bond Count: 0; (3)Exact Mass: 169.930251; (4)MonoIsotopic Mass: 169.930251; (5)Topological Polar Surface Area: 80.3; (6)Heavy Atom Count: 9; (7)Formal Charge: 0; (8)Complexity: 108; (9)Covalently-Bonded Unit Count: 2.

The production method is as following: This chemical is replaced by sodium fumarate with ferrisulphas. Firstly, heat the water till at the boiling point, and add sodium fumarate while stirring, and then add sodium carbonate seperately till the PH value gets 6.5-6.7; Secondly, after well-stirred, filter the chemical and get sodium fumarate solution. Thirdly, add ferrisulphas solution and then have the operation of heating, reflux, cooling and then get the crystal. Lastly, filter cake should be washed with distilled water to comform to required, and then dry to get the Ferrous fumarate, with field of 83%.

The usage of this chemical is as below: Ferrous fumarate could be the food ferrum reinforcer, with the? absorbing effect better than inorganic ferrum. It could be used in salt and bonbon, with the usage amount of 1800~3600mg/kg; It could be used in grain with high ferrum and its products, with usage amount of 520~580mg/kg; It could be used in dairy food and baby food, with amount of 180~300mg/kg; It could also be used in frumentum and its products, with the amount of 70~150mg/kg; And its amount in beverage is 30~60mg/kg. When store, you should keep it in cool, dry and well-ventilated room.

You should be cautious while dealing with this chemical: This chemical is irritating to eyes, respiratory system and skin, so you should not breathe dust while using, and remember to wear suitable protective clothing, gloves and eye/face protection .

The following datas could be converted into the molecular structure:
(1)Canonical SMILES: C(=CC(=O)[O-])C(=O)[O-].[Fe+2]
(2)Isomeric SMILES: C(=C/C(=O)[O-])\C(=O)[O-].[Fe+2]
(3)InChI: InChI=1S/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,
?? 8);/q;+2/p-2/b2-1+;?
(4)InChIKey: PMVSDNDAUGGCCE-TYYBGVCCSA-L?
?
Below are the toxicity information which has been tested:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 480mg/kg (480mg/kg) ? American Journal of the Medical Sciences. Vol. 241, Pg. 296, 1961.
?
mouse LD50 oral 1570mg/kg (1570mg/kg) ? American Journal of the Medical Sciences. Vol. 241, Pg. 296, 1961.
?
rat LD50 intraperitoneal 185mg/kg (185mg/kg) ? Drugs in Japan Vol. 6, Pg. 683, 1982.
rat LD50 oral 3850mg/kg (3850mg/kg) ? Drugs in Japan Vol. 6, Pg. 683, 1982.
rat LD50 subcutaneous 500mg/kg (500mg/kg) ? Drugs in Japan Vol. 6, Pg. 683, 1982.
women LDLo oral 400mg/kg (400mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: NAUSEA OR VOMITING
Human Toxicology. Vol. 7, Pg. 281, 1988.
?

Report

The IUPAC name of Ferrous fumarate is (E)-but-2-enedioate; iron(2+). With the cas register number of 141-01-5, it is a orange red to reddish-brown powder with no odour and no taste. And its product categories are including organic-metal salt; pharmacopoeia (usp); pharmacopoeia a-z; carbonyl compounds; carboxylic acid salts; organic building blocks. This chemical is stable chemicallly.

The characteristics of this chemical are as below: (1)H-Bond Acceptor: 4; (2)Rotatable Bond Count: 0; (3)Exact Mass: 169.930251; (4)MonoIsotopic Mass: 169.930251; (5)Topological Polar Surface Area: 80.3; (6)Heavy Atom Count: 9; (7)Formal Charge: 0; (8)Complexity: 108; (9)Covalently-Bonded Unit Count: 2.

The production method is as following: This chemical is replaced by sodium fumarate with ferrisulphas. Firstly, heat the water till at the boiling point, and add sodium fumarate while stirring, and then add sodium carbonate seperately till the PH value gets 6.5-6.7; Secondly, after well-stirred, filter the chemical and get sodium fumarate solution. Thirdly, add ferrisulphas solution and then have the operation of heating, reflux, cooling and then get the crystal. Lastly, filter cake should be washed with distilled water to comform to required, and then dry to get the Ferrous fumarate, with field of 83%.

The usage of this chemical is as below: Ferrous fumarate could be the food ferrum reinforcer, with the? absorbing effect better than inorganic ferrum. It could be used in salt and bonbon, with the usage amount of 1800~3600mg/kg; It could be used in grain with high ferrum and its products, with usage amount of 520~580mg/kg; It could be used in dairy food and baby food, with amount of 180~300mg/kg; It could also be used in frumentum and its products, with the amount of 70~150mg/kg; And its amount in beverage is 30~60mg/kg. When store, you should keep it in cool, dry and well-ventilated room.

You should be cautious while dealing with this chemical: This chemical is irritating to eyes, respiratory system and skin, so you should not breathe dust while using, and remember to wear suitable protective clothing, gloves and eye/face protection .

The following datas could be converted into the molecular structure:
(1)Canonical SMILES: C(=CC(=O)[O-])C(=O)[O-].[Fe+2]
(2)Isomeric SMILES: C(=C/C(=O)[O-])\C(=O)[O-].[Fe+2]
(3)InChI: InChI=1S/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,
?? 8);/q;+2/p-2/b2-1+;?
(4)InChIKey: PMVSDNDAUGGCCE-TYYBGVCCSA-L?
?
Below are the toxicity information which has been tested:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 480mg/kg (480mg/kg) ? American Journal of the Medical Sciences. Vol. 241, Pg. 296, 1961.
?
mouse LD50 oral 1570mg/kg (1570mg/kg) ? American Journal of the Medical Sciences. Vol. 241, Pg. 296, 1961.
?
rat LD50 intraperitoneal 185mg/kg (185mg/kg) ? Drugs in Japan Vol. 6, Pg. 683, 1982.
rat LD50 oral 3850mg/kg (3850mg/kg) ? Drugs in Japan Vol. 6, Pg. 683, 1982.
rat LD50 subcutaneous 500mg/kg (500mg/kg) ? Drugs in Japan Vol. 6, Pg. 683, 1982.
women LDLo oral 400mg/kg (400mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: NAUSEA OR VOMITING
Human Toxicology. Vol. 7, Pg. 281, 1988.
?

Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Sustainability Support Services (Europe) AB 2017
more >
MSDS

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name Ferrous fumarate

1.2 Other means of identification

Product number -
Other names ferrone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company WWW.GuideChem.COM
Address 8F, Block C, No.3 Building, Zijin Plaza, No.701, Gudun Road, Hangzhou, Zhejiang 310030, China
Telephone +86-571-89739798
Fax 86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-571-89739798
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
Ferrous fumarate Ferrous fumarate 141-01-5 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

4.3 Indication of immediate medical attention and special treatment needed, if necessary

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state red to brown powder
Colour no data available
Odour no data available
Melting point/ freezing point >280\u00baC
Boiling point or initial boiling point and boiling range no data available
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point no data available
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility no data available
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure no data available
Density and/or relative density 2.435
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.2 UN Proper Shipping Name

ADR/RID: unknown
IMDG: unknown
IATA: unknown

14.3 Transport hazard class(es)

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.4 Packing group, if applicable

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
Ferrous fumarate Ferrous fumarate 141-01-5 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 14, 2017
Revision Date Aug 14, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

Computational chemical data

Molecular Weight:169.90128 [g/mol]
Molecular Formula:C4H2FeO4
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:0
Exact Mass:169.930251
MonoIsotopic Mass:169.930251
Topological Polar Surface Area:80.3
Heavy Atom Count:9
Formal Charge:0
Complexity:108
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

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