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  • 107-96-0 Structure
  • Basic information

    1. Product Name: 3-Mercaptopropionic acid
    2. Synonyms: (S)-2-(diMethylaMino)-3-(2-thioxo-2,3-dihydro-1H-iMidazol-4-yl)propanoic acid hydrate;3-Mercaptopropionic acid ( MPA);3-Mercaptopropionic acid Thiopropionic acid;3-MERCAPTOPROPIONIC ACID >= 99.0% (H;PROPONOIC ACID, 3-MERCAPTO;3-Mercaptopropanoic acid;3-mercapto-propanoicaci;3-mercaptopropanoicacid
    3. CAS NO:107-96-0
    4. Molecular Formula: C3H6O2S
    5. Molecular Weight: 106.14
    6. EINECS: 203-537-0
    7. Product Categories: Organic acids;Self Assembly&Contact Printing;Self-Assembly Materials;Thiols;Miscellaneous Reagents;Sulfur & Selenium Compounds
    8. Mol File: 107-96-0.mol
    9. Article Data: 37
  • Chemical Properties

    1. Melting Point: 17 °C
    2. Boiling Point: 110-111 °C15 mm Hg(lit.)
    3. Flash Point: 201 °F
    4. Appearance: White/Crystalline Powder, Crystals, and/or Chunks
    5. Density: 1.218 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 0.04 mm Hg ( 20 °C)
    7. Refractive Index: n20/D 1.492(lit.)
    8. Storage Temp.: Store below +30°C.
    9. Solubility: N/A
    10. PKA: pK1:;pK2:10.84(SH) (25°C)
    11. Explosive Limit: 1.60%(V)
    12. Water Solubility: soluble
    13. Sensitive: Air Sensitive & Hygroscopic
    14. BRN: 773807
    15. CAS DataBase Reference: 3-Mercaptopropionic acid(CAS DataBase Reference)
    16. NIST Chemistry Reference: 3-Mercaptopropionic acid(107-96-0)
    17. EPA Substance Registry System: 3-Mercaptopropionic acid(107-96-0)
  • Safety Data

    1. Hazard Codes: T
    2. Statements: 25-34-23/24/25
    3. Safety Statements: 7-26-36/37/39-45
    4. RIDADR: UN 2922 8/PG 2
    5. WGK Germany: 1
    6. RTECS: UF5270000
    7. F: 10-13
    8. TSCA: Yes
    9. HazardClass: 8
    10. PackingGroup: III
    11. Hazardous Substances Data: 107-96-0(Hazardous Substances Data)

107-96-0 Usage

Chemical Properties

clear colourless to yellowish liquid after melting

Uses

Different sources of media describe the Uses of 107-96-0 differently. You can refer to the following data:
1. A compound suitable for amino acid analysis by means of OPA
2. 3-Mercaptopropionic acid is widely used in food and beverage industries as a flavoring agent. It is used in the production of PVC stabilizers, which are used as chain transfer agents in polymerizations. It can be used as primary or secondary, color stabilizer in combination with phenolic antioxidant for polymers. It acts as a sulfide ion equivalent and is utilized in the preparation of diaryl sulfide from aryl iodide.

Definition

ChEBI: A mercaptopropanoic acid that is propanoic acid carrying a sulfanyl group at position 3.

General Description

3-Mercaptopropionic acid (3-MPA) is used as a self-assembled monolayer (SAM) with a thiol and carboxylic groups. It has short carbon chains and is mainly used as a capping agent on a variety of nanoparticles.

Check Digit Verification of cas no

The CAS Registry Mumber 107-96-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,0 and 7 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 107-96:
(5*1)+(4*0)+(3*7)+(2*9)+(1*6)=50
50 % 10 = 0
So 107-96-0 is a valid CAS Registry Number.
InChI:InChI=1/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)/p-1

107-96-0 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
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  • Detail
  • Alfa Aesar

  • (A13261)  3-Mercaptopropionic acid, 99%   

  • 107-96-0

  • 100g

  • 206.0CNY

  • Detail
  • Alfa Aesar

  • (A13261)  3-Mercaptopropionic acid, 99%   

  • 107-96-0

  • 500g

  • 510.0CNY

  • Detail
  • Aldrich

  • (M5801)  3-Mercaptopropionicacid  ≥99%

  • 107-96-0

  • M5801-5G

  • 411.84CNY

  • Detail
  • Aldrich

  • (M5801)  3-Mercaptopropionicacid  ≥99%

  • 107-96-0

  • M5801-100G

  • 434.07CNY

  • Detail
  • Aldrich

  • (M5801)  3-Mercaptopropionicacid  ≥99%

  • 107-96-0

  • M5801-500G

  • 836.55CNY

  • Detail

107-96-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-mercaptopropanoic acid

1.2 Other means of identification

Product number -
Other names 3-MPA

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Flavouring Agent: FLAVOURING_AGENT
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

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

More Details:107-96-0 SDS

107-96-0Synthetic route

acrylonitrile
107-13-1

acrylonitrile

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
Stage #1: acrylonitrile With sodium hydrogen sulfide; sulfur; sodium hydroxide
Stage #2: With hydrogenchloride In water Reflux;
98.6%
With sodium hydrogen sulfide; iron Acidic conditions;
3-butoxypropylamine
16499-88-0

3-butoxypropylamine

S-acrylic acid-N-butoxypropyl dithiocarbamate

S-acrylic acid-N-butoxypropyl dithiocarbamate

A

N,N'-dibutoxypropyl thiourea

N,N'-dibutoxypropyl thiourea

B

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 70℃; for 2h;A 98.5%
B 95.7%
S-acrylic acid-N-n-propyl dithiocarbamate
7629-47-2

S-acrylic acid-N-n-propyl dithiocarbamate

3-Isopropoxy-propylamin
2906-12-9

3-Isopropoxy-propylamin

A

N-n-propyl-N'-isopropoxypropyl thiourea

N-n-propyl-N'-isopropoxypropyl thiourea

B

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 65℃; for 2h; Solvent;A 95.6%
B 94.1%
acrylic acid
79-10-7

acrylic acid

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With hydrogen sulfide; C8H20N2O*C2HF6NO4S2 at 70℃; for 12h; Catalytic behavior; Reagent/catalyst; Temperature;95%
With hydrogen sulfide; ammonia In methanol at 20 - 60℃; under 18751.9 Torr;87.5%
Stage #1: acrylic acid With sodium hydrogen sulfide; sodium hydroxide In water at 45 - 100℃; for 8.5h;
Stage #2: With sulfuric acid; iron In water for 2.5h; Concentration; Inert atmosphere;
83.7%
3-butoxypropylamine
16499-88-0

3-butoxypropylamine

S-acrylic acid-N-isopropoxypropyl dithiocarbamate

S-acrylic acid-N-isopropoxypropyl dithiocarbamate

A

N-isopropoxypropyl-N'-butoxypropyl thiourea

N-isopropoxypropyl-N'-butoxypropyl thiourea

B

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 70℃; for 2.5h;A 94.9%
B 93.6%
acrylic acid
79-10-7

acrylic acid

A

4-thiaheptane-1,7-dioic acid
111-17-1

4-thiaheptane-1,7-dioic acid

B

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
Stage #1: acrylic acid With sodium hydroxide In water at 45 - 50℃; for 0.5h;
Stage #2: With hydrogen sulfide In water at 45 - 100℃; Concentration; Time;
A n/a
B 94.4%
Stage #1: acrylic acid With sodium hydroxide In water at 45 - 50℃; for 0.5h;
Stage #2: With hydrogen sulfide In water at 45 - 100℃; for 9.46h;
Stage #3: With sulfuric acid; iron In water for 2.5h; Concentration; Reagent/catalyst; Inert atmosphere;
S-acrylic acid-N-butoxypropyl dithiocarbamate

S-acrylic acid-N-butoxypropyl dithiocarbamate

diethylamine
109-89-7

diethylamine

A

N-butoxypropyl-N',N'-diethylthiourea

N-butoxypropyl-N',N'-diethylthiourea

B

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 70℃; for 2h; Solvent;A 93.6%
B 87.2%
3-ethoxypropylamine
6291-85-6

3-ethoxypropylamine

S-acrylic acid-N-benzyldithiocarbamate

S-acrylic acid-N-benzyldithiocarbamate

A

N-benzyl-N'-ethoxypropyl thiourea

N-benzyl-N'-ethoxypropyl thiourea

B

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With sodium hydroxide In 1,4-dioxane at 65℃; for 3h; Solvent;A 89.3%
B 85.1%
sodium 2-propenoate
7446-81-3

sodium 2-propenoate

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
Stage #1: sodium 2-propenoate With sodium hydrogen sulfide at 50℃; under 1125.11 Torr; for 1h;
Stage #2: With sodium sulfide at 110℃; under 1125.11 Torr; for 1h;
Stage #3: With sulfuric acid at 60℃; for 1h; Reagent/catalyst; Temperature; Pressure;
85.4%
Stage #1: sodium 2-propenoate With sodium hydroxide; sodium hydrogensulfide In water at 80 - 100℃; for 6.5h;
Stage #2: With sulfuric acid In water at 5℃; for 1h;
Stage #3: With zinc In water at 40℃; Product distribution / selectivity;
70%
3-carbamimidoylmercapto-propionic acid
5398-29-8

3-carbamimidoylmercapto-propionic acid

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With ammonium hydroxide at 80℃;80%
With barium dihydroxide
tetrachloromethane
56-23-5

tetrachloromethane

3-acetylsulfanyl-propionic acid
41345-70-4

3-acetylsulfanyl-propionic acid

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
at 25℃;
β-Propiolactone
57-57-8

β-Propiolactone

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With sodium hydrogensulfide; water at 5℃; folgendes Ansaeuern mit konz.HCl;
With water at 30℃; folgendes Ansaeuern mit konz.HCl;
β-Propiolactone
57-57-8

β-Propiolactone

A

4-thiaheptane-1,7-dioic acid
111-17-1

4-thiaheptane-1,7-dioic acid

B

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With sodium sulfide; water
3-iodopropanoic acid
141-76-4

3-iodopropanoic acid

A

4-thiaheptane-1,7-dioic acid
111-17-1

4-thiaheptane-1,7-dioic acid

B

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With potassium hydrosulfide
With alkali hydrosulfide
xanthate carboxylic acid
6302-95-0

xanthate carboxylic acid

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With ammonia
With ethanol; ammonia ueber mehrere Stufen;
Conditions
ConditionsYield
With hydrogenchloride; sodium nitrite Reduktion der entstehenden Saeure mit Zinkstaub und verd.Salzsaeure;
3-carbamimidoylmercapto-propionic acid
5398-29-8

3-carbamimidoylmercapto-propionic acid

furan-2,3,5(4H)-trione pyridine (1:1)

furan-2,3,5(4H)-trione pyridine (1:1)

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

3,3'-dithiobis(propionic acid)
1119-62-6

3,3'-dithiobis(propionic acid)

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With hydrogenchloride; zinc
3,3'-dithiobis(propionic acid)
1119-62-6

3,3'-dithiobis(propionic acid)

A

3-sulfopropanoic acid
44826-45-1

3-sulfopropanoic acid

B

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With water; copper(II) sulfate
With water; silver sulfate
With water; hydrogen bromide; mercury dibromide
With water; copper(II) perchlorate
3-Bromopropionic acid
590-92-1

3-Bromopropionic acid

thiourea
17356-08-0

thiourea

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With ethanol Kochen der Reaktionsloesung mit Natronlauge unter Stickstoff;
With ethanol Kochen der Reaktionsloesung mit Barytwasser unter Stickstoff;
acrylic acid methyl ester
292638-85-8

acrylic acid methyl ester

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With sodium tetrasulfide; water anschliessend mit wss. Salzsaeure und Behandeln der Reaktionsloesung mit Aluminium und Natriumhydroxid;
3-(2-carboxyethylsulfanylthiocarbonylsulfanyl)propionic acid
15238-06-9

3-(2-carboxyethylsulfanylthiocarbonylsulfanyl)propionic acid

aniline
62-53-3

aniline

A

1,1-diphenylthiourea
3898-08-6

1,1-diphenylthiourea

B

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

3,3'-dithiobis(propionic acid)
1119-62-6

3,3'-dithiobis(propionic acid)

2-amino-2-methylpropanethiol
13893-24-8

2-amino-2-methylpropanethiol

A

3-(2-Amino-2-methyl-propyldisulfanyl)-propionic acid

3-(2-Amino-2-methyl-propyldisulfanyl)-propionic acid

B

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With sodium chloride In water-d2 at 25℃; Equilibrium constant;
2-amino-2-methylpropanethiol
13893-24-8

2-amino-2-methylpropanethiol

3-(2-Amino-2-methyl-propyldisulfanyl)-propionic acid

3-(2-Amino-2-methyl-propyldisulfanyl)-propionic acid

A

2-(2-Amino-2-methyl-propyldisulfanyl)-1,1-dimethyl-ethylamine
4424-49-1

2-(2-Amino-2-methyl-propyldisulfanyl)-1,1-dimethyl-ethylamine

B

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With sodium chloride In water-d2 at 25℃; Equilibrium constant;
2-carboxy-ethylsulfanyl
40055-90-1

2-carboxy-ethylsulfanyl

C4H10O2S2(2-)

C4H10O2S2(2-)

B

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
In water at 23℃; Thermodynamic data; Rate constant; pH=7.0; phosphate buffer; ΔGo;
2-carboxy-ethylsulfanyl
40055-90-1

2-carboxy-ethylsulfanyl

C4H10O2S2(2-)

C4H10O2S2(2-)

B

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
In water at 23℃; Thermodynamic data; Rate constant; pH=7.0; phosphate buffer; ΔGo;
3-acetylsulfanyl-propionic acid
41345-70-4

3-acetylsulfanyl-propionic acid

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

Conditions
ConditionsYield
With sodium hydroxide In acetone Ambient temperature;
With sulfuric acid for 5h; Hydrolysis; Heating;
With sulfuric acid; water Heating;

107-96-0Related news

Determination of 3-Mercaptopropionic acid (cas 107-96-0) by HPLC: A sensitive method for environmental applications08/22/2019

The organic sulfur compound 3-mercaptopropionic acid (3-MPA) is an important thiol intermediate in organic sulfur metabolism in natural environments. It is generated during degradation of sulfur-containing amino acids (e.g. methionine) and from demethylation of dimethylsulfoniopropionate (DMSP)....detailed

Functionalization of ZnO nanoparticles by 3-Mercaptopropionic acid (cas 107-96-0) for aqueous curcumin delivery: Synthesis, characterization, and anticancer assessment08/21/2019

Inherent biocompatibility and stability of zinc oxide nanoparticles (ZnO-NPs) and their biomedical potentials make them an emerging candidate for drug delivery. The aim of this study was to develop and assess a simple procedure for surface functionalization of ZnO-NPs by 3-mercaptopropionic acid...detailed

New model of pharmacoresistant seizures induced by 3-Mercaptopropionic acid (cas 107-96-0) in mice08/20/2019

About 30% of the patients with epilepsy do not respond to clinically established anticonvulsants, despite having effective concentrations of the antiepileptic drug in plasma. Therefore, new preclinical models of epilepsy are needed to identify more efficacious treatments. We describe here a new ...detailed

3-Mercaptopropionic acid (cas 107-96-0) functionalization of titanium dioxide thin films08/19/2019

Nanostructured titanium dioxide (TiO2) films are commonly employed as surface modifiers on medical and dental metallic implants, presenting promising results related to interactions with living tissues, promoting improvements in the in vivo biocorrosion resistance and increased bioactivity when ...detailed

107-96-0Relevant articles and documents

Reduction Potentials and Exchange Reactions of Thiyl Radicals and Disulfide Anion Radicals

Surdhar, Parminder S.,Armstrong, David A.

, p. 6532 - 6537 (1987)

Redox equilibria between RS. and -S-S-- radicals, and between these types of radical and phenoxyl and chlorpromazine (ClPz.2+) radicals, have been investigated in aqueous solutions at pHs over the range 6-10 to obtain a self-consistent set of redox potentials for the reactions PhO. + H+ + e- = PhOH (4), RSS.R + 2H+ + e- = 2RSH (11), and RS. + H+ + e- = RSH (18), in sulfur systems with alkyl R groups.Absolute standard potentials were calculated on the of E0 = 0.83 V for the chlorpromazine couple.The results for E04 (=1.35 +/- 0.02 V) and E018 (=1.33 +/- 0.02 V) were in agreement with values calculated from thermodynamic data within the known uncertainties.E018 was found to exhibit a falloff when electron-rich groups, such as the two methyls of penicillamine or the CO2- of β-mercaptoacetic acid, were present on the carbon adjacent to the S atom.However, the effect was relatively small (ca. 10-14 mV).E011 was 1.72 +/- 0.02 V for β-mercaptoethanol.The corresponding potentials for the cyclic anions of dithiothreitol, dithioerythritol, and lipoamide were the same within experimental error, but the uncertainties were larger (+/- 0.04 V).For the reaction e- + -S-S- = -S-S-- (22), the magnitude of E022 was calculated to be -1.60 V, showing that only strongly reducing species could donate electrons to disulfide.Rate constants for several of the forward and backward reactions in the equilibria were also determined.

Method for synthesizing 3-mercaptopropionic acid from acidic waste gas

-

Paragraph 0027; 0031-0035; 0037; 0041-0047; 0051-0055; 0057, (2020/05/01)

The invention relates to the technical field of sulfhydryl compound synthesis, and in particular, relates to a method for synthesizing 3-mercaptopropionic acid from acid waste gas. The method comprises the steps: firstly, purifying hydrogen sulfide in the acidic waste gas by a pressure swing adsorption method; secondly, synthesizing 3-mercaptopropionic acid: step 1, selecting materials; step 2, carrying out a first-step reaction; step 3, carrying out a second-step reaction; and step 4, carrying out a third-step reaction. According to the method for synthesizing the 3-mercaptopropionic acid from the acid waste gas, hydrogen sulfide in the acid waste gas discharged from an oil refinery is adopted, waste is turned into wealth, reasonable utilization of resources is taken as guidance, and the3-mercaptopropionic acid is synthesized with a low-cost and less-'three wastes' method. According to the method, acrylic acid and the hydrogen sulfide product obtained in the first step are used as raw materials, triethylamine is used as a catalyst, and dimethylacetamide is used as a solvent, so that the reaction conversion rate is high, the yield is high, byproducts are reduced, the traditional process route is broken through, the problem of three wastes caused by acidification and extraction is avoided, and the method is an excellent synthesis and post-treatment route.

Thiourea derivative and thiohydracrylic acid parallel production method

-

Paragraph 0053; 0054, (2019/03/25)

The invention belongs to the technical field of organic synthesis and particularly discloses a thiourea derivative and thiohydracrylic acid parallel production method. The thiourea derivative and thiohydracrylic acid parallel production method comprises neutralizing and aminolyzing S-acrylic-dithiocarbamate in aqueous or organic solvent to obtain thiourea derivatives and the by-product of 3-mercapto propionate, wherein the 3-mercapto propionate is acidized into 3-mercapto propionic acid. The thiourea derivative and thiohydracrylic acid parallel production method provides a practical method forsynthesis of the thiourea derivatives and the 3-mercapto propionic acid and has the advantages of being mild in reaction, short in reaction time, simple in technical process and high in yield of thethiourea derivatives and the 3-mercapto propionic acid, thereby achieving certain industrial economic values.

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