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Manganese acetate tetrahydrate

HCID 93021
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Basic information

CAS
6156-78-1
Standard SMILES
CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Mn+2]
InChIKey
CESXSDZNZGSWSP-UHFFFAOYSA-L
Molecular formula
C4H6MnO4 . 4H2O
Average molar mass
245.09 g/mol
Monoisotopic mass
245.00691

Overview

Manganese triacetate is a chemical compound of manganese. Manganese is a naturally occurring metal with the symbol Mn and the atomic number 25. It does not occur naturally in its pure form, but is found in many types of rocks in combination with other substances such as oxygen, sulfur, or chlorine. Manganese occurs naturally in most foods and small amounts are needed to stay healthy, as manganese ions act as cofactors for a number of enzymes. (L228, L229)

Names & identifiers

Preferred name
Manganese acetate tetrahydrate
IUPAC
manganese(2+);diacetate;tetrahydrate
English name
Manganese(II) acetate tetrahydrate
Molecular formula
C4H14MnO8
Molecular weight
245.09

Names & synonyms

6156-78-1Manganese acetate tetrahydrateManganese(II) acetate tetrahydrateManganous acetate tetrahydrateManganese diacetate, tetrahydratemanganese diacetate tetrahydrateMANGANUM ACETICUMUNII-9TO51D176NDTXSID002105669TO51D176NDTXCID30133057RefChem:59029
Show more names
MANGANESE ACETATEMANGANESE(II) ACETATECo-MnManganeseAcetateAracetate tetrahydrateManganese acetate, GR 99%+MANGANESE(II) ACETATE 4 H2OTetrahydrate of acetic acid
C4H14MnO8manganese (II) acetate tetrahydrate4-BENZOYLBENZENEBORONICACIDACETIC ACID, MANGANESE(2+) SALT, TETRAHYDRATEManganese(II); acetate tetrahydrateManganeseacetatetetrahydratemanganous;diacetate;tetrahydrateMANGANUM ACETICUM [HPUS]

Database identifiers

CAS

Properties

Computed structural properties

Topological polar surface area
84.3 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
0
Heavy atoms
13
Formal charge
0
Complexity
25.5

Experimental & physicochemical properties

Chemical ClassesMetals -> Organic Acids, Metal Salts
Density1.59 @ 20°C
Melting Point80 °C
Physical DescriptionLight red transparent solid; [Merck Index] Light pink hygroscopic crystals; [Acros Organics MSDS]

Physicochemical properties

Melting point
300 °C · >300 °C(lit.)
Density
1.589 g/mL · 1.589 g/mL at 25 °C(lit.)
bulk density
700 kg/m3 · 700kg/m3
vapor pressure
1 hPa · <1 hPa (25 °C)
storage temp.
30 °C · Store below +30°C.
solubility
233 g/l · 233g/l
form
Crystals
Specific Gravity
1.589 · 1.589
color
Pink
PH
7 · 7.0 (50g/l, H2O, 20℃)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 35.1% (26 of 74) of reports.

Warning

H315 (63.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Hazard information

Regulatory Information · 2 items

Chemical: Acetic acid, manganese(2+) salt, tetrahydrate

Acetic acid, manganese(2+) salt, tetrahydrate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Soluble manganese compounds: Human health tier II assessment
Hazards SummaryAn irritant; Possible reproductive and fetal toxicant; [Acros Organics MSDS] See Manganese(II) acetate. See Manganese and linked occupational diseases.
Hazard Classes and Categories · 2 items

Skin Irrit. 2 (63.5%)

Acute toxicity (ingestion) - category 4

Safety & protection

Exposure Control and Personal Protection0.2 [mg/m3], as Mn (inhalable fraction), 0.02 mg/m3, as Mn (respirable fraction)[German Research Foundation (DFG)]

Chemistry & industry

Pharmacology

Metabolism/Metabolites · 1 item

Manganese is absorbed mainly via ingestion, but can also be inhaled. It binds to alpha-2-macroglobulin, albumin, or transferrin in the plasma and is distributed to the brain and all other mammalian tissues, though it tends to accumulate more in the liver, pancreas, and kidney. Manganese is capable of existing in a number of oxidation states and is believed to undergo changes in oxidation state within the body. Manganese oxidation state can influence tissue toxicokinetic behavior, and possibly toxicity. Manganese is excreted primarily in the faeces. (L228)

FDA Pharmacological Classification · 4 items

MANGANESE ACETATE TETRAHYDRATE

Magnetic Resonance Contrast Activity [MoA]; Paramagnetic Contrast Agent [EPC]

MANGANUM ACETICUM

Osmotic Laxative [EPC]; Magnesium Ion Exchange Activity [MoA]; Inhibition Small Intestine Fluid/Electrolyte Absorption [PE]; Stimulation Large Intestine Fluid/Electrolyte Secretion [PE]; Increased Large Intestinal Motility [PE]; Calculi Dissolution Agent [EPC]; Osmotic Activity [MoA]; Inhibition Large Intestine Fluid/Electrolyte Absorption [PE]

Uses & manufacturing

Uses · 2 items

Used as a mordant in dyeing, to make a brown pigment, and as a drying agent for paints and varnishes; [Merck Index]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

Applications · 2 items

UsesManganese(II) acetate tetrahydrate may be used in the sol gel synthesis of doped TiO2 containing different amounts of Mn2+.

General DescriptionManganese(II) acetate tetrahydrate is a hydrated salt of manganese. Kinetic studies suggest that its dehydration takes place in two-step reaction involving the loss of two water molecules. Its crystal structure has been investigated by X-ray studies. Its crystals exhibit monoclinic crystal system and space group P21/c.

Related reactions

46 records
New reaction record
HRID 18851 reaction equation
HRID 18851As catalystuspto-grants-2010_06
HRID 18852 reaction equation
HRID 18852As catalystuspto-grants-2010_06
HRID 18853 reaction equation
HRID 18853As catalystuspto-grants-2010_06
HRID 18856 reaction equation
HRID 18856As catalystuspto-grants-2010_06
HRID 18857 reaction equation
HRID 18857As catalystuspto-grants-2010_06
HRID 18858 reaction equation
HRID 18858As catalystuspto-grants-2010_06
HRID 18859 reaction equation
HRID 18859As catalystuspto-grants-2010_06
HRID 18860 reaction equation
HRID 18860As catalystuspto-grants-2010_06
Page 1 of 6

Compound notes

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6156-78-1
PubChem CID
93021
DTXSID
DTXSID00210566
UNII
9TO51D176N
EC Number
612-176-1、927-058-8
Water Solubility
Soluble in water, methanol, ethanol, and acetic acid.
Hydrolytic Sensitivity
4 · 4: no reaction with water under neutral conditions
Merck
14 · 14,5724
BRN
3730728 · 3730728
Exposure limits
5 mg/m3NIOSH: · OSHA: Ceiling 5 mg/m3NIOSH: IDLH 500 mg/m3; TWA 1 mg/m3; STEL 3 mg/m3
InChI
1S/2C2H4O2.Mn.4H2O/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);;4*1H2/q;;+2;;;;/p-2
InChIKey
SLMRUTJYVMZEPJ-UHFFFAOYSA-M
SMILES
[H]O[H].[H]O[H].[H]O[H].[H]O[H].CC(=O)O[Mn]OC(C)=O
CAS DataBase Reference
6156 · 6156-78-1(CAS DataBase Reference)
FDA 21 CFR
175.105 · 175.105; 582.80
FDA UNII
9 TO51D176N · 9TO51D176N
UNSPSC Code
12352103 · 12352103
NACRES
23 · NA.23
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
303 · H303-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338-P280a-P304+P340-P405-P501a
target organs
Brain
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36
WGK Germany
2 · 2
RTECS
5775000 · AI5775000
TSCA
Yes
HS Code
29152990 · 29152990
Storage Class
11 · 11 - Combustible Solids
Hazard Classifications
3 STOT · Aquatic Chronic 3STOT RE 2 Inhalation
Toxicity
50 orally · LD50 orally in Rabbit: 3730 mg/kg
Minimum Risk LevelChronic Inhalation: 0.0003 mg/m3 (L134)
Threshold Limit Values (TLV)0.02 [mg/m3], as Mn (respirable fraction), 0.1 mg/m3, as Mn (inhalable fraction)
Protective Action Criteria (PAC) · 3 items

13 [mg/m3]

22 [mg/m3]

740 [mg/m3]

Toxicology

Health Effects · 1 item

Manganese mainly affects the nervous system and may cause behavioral changes and other nervous system effects, which include movements that may become slow and clumsy. This combination of symptoms when sufficiently severe is referred to as “manganism”. (L228)

Adverse EffectsNeurotoxin - Parkinsonism
Exposure RoutesOral (L228) ; inhalation (L228)
Toxicity Summary · 1 item

Manganese is a cellular toxicant that can impair transport systems, enzyme activities, and receptor functions. It primarily targets the central nervous system, particularily the globus pallidus of the basal ganglia. It is believed that the manganese ion, Mn(II), enhances the autoxidation or turnover of various intracellular catecholamines, leading to increased production of free radicals, reactive oxygen species, and other cytotoxic metabolites, along with a depletion of cellular antioxidant defense mechanisms, leading to oxidative damage and selective destruction of dopaminergic neurons. In addition to dopamine, manganese is thought to perturbations other neurotransmitters, such as GABA and glutamate. In order to produce oxidative damage, manganese must first overwhelm the antioxidant enzyme manganese superoxide dismutase. The neurotoxicity of Mn(II) has also been linked to its ability to substitute for Ca(II) under physiological conditions. It can enter mitochondria via the calcium uniporter and inhibit mitochondrial oxidative phosphorylation. It may also inhibit the efflux of Ca(II), which can result in a loss of mitochondrial membrane integrity. Mn(II) has been shown to inhibit mitochondrial aconitase activity to a significant level, altering amino acid metabolism and cellular iron homeostasis. (L228)

Signs and Symptoms · 1 item

Manganese mainly affects the nervous system and may cause behavioral changes and other nervous system effects, which include movements that may become slow and clumsy. This combination of symptoms when sufficiently severe is referred to as “manganism”. (L228)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Safety data

wgk
2
tsca
Yes
rtecs
AI5775000
hs_code
29152990
Toxicity
LD50 orally in Rabbit: 3730 mg/kg
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36
Storage Class
11 - Combustible Solids
target organs
Brain
Hazard statements
H303-H315-H319-H335
Hazard Classifications
Aquatic Chronic 3STOT RE 2 Inhalation
Precautionary statements
P261-P305+P351+P338-P280a-P304+P340-P405-P501a

Upstream & downstream products

Upstream raw materials

ManganeseAcetic acidManganese(II) acetate

Downstream products

Isophthalic acidKetorolacLead acetate