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ChemicalBook--->CAS DataBase List--->107-96-0

107-96-0

107-96-0 Structure

107-96-0 Structure
IdentificationMore
[Name]

3-Mercaptopropionic acid
[CAS]

107-96-0
[Synonyms]

3-MERCAPTO PROPIONATE
3-MERCAPTOPROPIONIC ACID
3-MPA
BETA-MERCAPTOPROPIONIC ACID
B-THIOPROPIONIC ACID
β-Mercaptopropionic acid
PROPANOIC ACID, 3-MERCAPTO
PROPONOIC ACID, 3-MERCAPTO
3-Mercaptopropanoic acid
3-mercapto-propanoicaci
3-mercaptopropanoicacid
3-mercapto-Propanoicacid
3-mercaptopropionic
3-mercapto-propionicaci
3-mercpato-propionicaci
3-Sulfanylpropanoic acid
3-Thiopropionic acid
3-thiopropionicacid
acidemercapto-3propionique
beta-mercaptopropanoicacid
[EINECS(EC#)]

203-537-0
[Molecular Formula]

C3H6O2S
[MDL Number]

MFCD00004897
[Molecular Weight]

106.14
[MOL File]

107-96-0.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless to yellowish liquid after melting
[Melting point ]

15-18 °C (lit.)
[Boiling point ]

110-111 °C/15 mmHg (lit.)
[density ]

1.218 g/mL at 25 °C(lit.)
[vapor pressure ]

0.04 mm Hg ( 20 °C)
[FEMA ]

4587 | 3-MERCAPTOPROPIONIC ACID
[refractive index ]

n20/D 1.492(lit.)
[Fp ]

201 °F
[storage temp. ]

Store below +30°C.
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Crystalline Powder, Crystals, and/or Chunks
[pka]

pK1:;pK2:10.84(SH) (25°C)
[color ]

White
[Specific Gravity]

1.218
[Odor]

sulfurous roasted
[PH]

2 (120g/l, H2O, 20℃)
[explosive limit]

1.60%(V)
[Odor Type]

sulfurous
[Water Solubility ]

soluble
[Sensitive ]

Air Sensitive & Hygroscopic
[JECFA Number]

1936
[BRN ]

773807
[Stability:]

Air Sensitive, Hygroscopic
[InChIKey]

DKIDEFUBRARXTE-UHFFFAOYSA-N
[LogP]

-2.3 at 22℃
[CAS DataBase Reference]

107-96-0(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Thiolpropanoic acid(107-96-0)
[EPA Substance Registry System]

107-96-0(EPA Substance)
[Absorption]

cut-off at 270nm
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R25:Toxic if swallowed.
R34:Causes burns.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S7:Keep container tightly closed .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2922 8/PG 2
[WGK Germany ]

1
[RTECS ]

UF5270000
[F ]

10-13
[Autoignition Temperature]

662 °F
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29309070
[Hazardous Substances Data]

107-96-0(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: 96 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Thiourea-->Acrylonitrile-->Hydrogen Sulfide-->Pyruvic acid-->2-Oxetanone
[Preparation Products]

graft copolymer PAA-G-PIPA microsphere-->3-METHYLTHIOPROPIONIC ACID-->Chlormezanone-->2-(4-CHLOROPHENYL)-3-METHYL-TETRAHYDRO-1,3-THIAZINE-4-ONE-->Butyl 3-mercaptopropionate-->2-Mercaptopropionic acid-->Dibutyl sulfide-->Butanethiol-->1,4-Dihydroxynaphthalene-->3,3`-Dithiobispropanoic acid bis(N-hydroxysucciniMde ester)-->S-(2-Carboxyethyl)-L-cysteine-->METHYLENEBIS(3-MERCAPTOPROPIONIC ACID)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Mercaptopropionic acid(107-96-0).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colourless to yellowish liquid after melting
[Uses]

A compound suitable for amino acid analysis by means of OPA
[Application]

3-Mercaptopropionic acid (3-MPA)  is used to produce hydrophilic SAMs, which are terminated with carboxylic acids and can be further functionalized to introduce more complex end groups such as enzymes for biosensor applications. SAMs of 3-MPA are capped on ZnSe quantum dots for the electrochemical detection of dopamine. 3-MPA is used as a capping agent on CdTe quantum dot nanocrystals (QD NCs) for use as labeling materials in biomedical applications. It can also be used to modify the surface of iron oxide nanoparticles (Fe2O3) in the extraction and preconcentration of Al3+ and Cr3+ ions from different biological samples.
[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.
[Biological Activity]

3-Mercaptopropionic acid is a blocking drug that causes an increase in sleep and a decrease in wakefulness. A related finding is that nipecotic acid also increases the time needed for isoflurane to induce loss of consciousness, whereas 3-mercaptopropionic acid decreases anesthesia induction time[1].
[References]

[1] Thakkar, M. and R. McCarley. “Neurochemistry of Sleep and Wakefulness: Histamine in the control of sleep–wakefulness.”Basic Neurochemistry (Eighth Edition) (2012).
Questions And AnswerBack Directory
[Anti-cancer properties]

3-Mercaptopropionic acid is a liquid, and doses between 30 and 60 mg/kg can be used for IP seizure induction throughout development. 3-mercaptopropionic acid (3-MPA) is a convulsant and potent GAD1 inhibitor, which could inhibit the migration and invasiveness of oral cancer cells. Considering that inhibition of GAD1 impaired GABA-mediated immunosuppression, 3-MPA was also demonstrated to synergize with ICB treatment to exert better anti-tumor efficacy. Such a combination strategy could benefit the treatment of cancer types with elevated GAD1 expression. Since 3-MPA has not been approved for clinical use, it is urgent to discover novel GAD1 inhibitors that are more applicable to future clinical studies.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Mercaptopropionic acid(107-96-0)MS
3-Mercaptopropionic acid(107-96-0)1HNMR
3-Mercaptopropionic acid(107-96-0)13CNMR
3-Mercaptopropionic acid(107-96-0)IR1
3-Mercaptopropionic acid(107-96-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Mercaptopropionic acid, 99+%(107-96-0)
[Alfa Aesar]

3-Mercaptopropionic acid, 99%(107-96-0)
[Sigma Aldrich]

107-96-0(sigmaaldrich)
[TCI AMERICA]

3-Mercaptopropionic Acid,>98.0%(GC)(T)(107-96-0)
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