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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)
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
[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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