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
[Cosmetics Ingredients Functions]

DEPILATORY
HAIR WAVING OR STRAIGHTENING
REDUCING
[InChI]

1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
[InChIKey]

DKIDEFUBRARXTE-UHFFFAOYSA-N
[SMILES]

OC(=O)CCS
[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
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)
GHS05,GHS06
[Signal word ]

Danger
[Hazard statements ]

H290-H301-H314-H332
[Precautionary statements ]

P234-P261-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
[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
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29309070
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 3 Oral
Acute Tox. 4 Inhalation
Eye Dam. 1
Met. Corr. 1
Skin Corr. 1B
[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.
[Reactions]

In organic reactions, 3-Mercaptopropionic acid acts as a sulfide ion equivalent and is utilized in the preparation of diaryl sulfide from aryl iodide.
[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.
[Agricultural Uses]

3-Mercaptopropionic acid (3-MPA) has been identified as a promising natural compound with potential anti-browning properties. 3-MPA treatment enhanced antioxidant capacity, reduced PPO activity, and mitigated quinone formation in potato samples. Molecular docking simulations and dynamics analyses revealed that 3-MPA competitively binds to PPO's active site, forming a stable enzyme-inhibitor complex that effectively blocks substrate access[2].
[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)
107-96-0 suppliers list
Company Name: SHANGHAI BANGCHENG CHEMICAL Co.,Ltd.  Gold
Telephone: 021-69106960 13701823997
Website: www.bangchengchem.com/
Company Name: Chengdu Huachun Technology Co., Ltd  Gold
Telephone: 400-1166-196 15982826727
Website: http://www.hx-r.com
Company Name: Shanghai Aladdin Bio-Chem Technology Co.,LTD  Gold
Telephone: 400-6206333 13167063860
Website: www.aladdin-e.com/
Company Name: Integrity(Anhui)Biopharma Co., Ltd.  Gold
Telephone: 18655878467
Website: http://www.integritybiopharm.com
Company Name: Saintchem Chemical Co., Ltd.  Gold
Telephone: 13968039099 +undefined-13968039099
Website: http://www.saintchem.com
Company Name: JinJin Le Chemical Co., Ltd  Gold
Telephone: 18001959627(微信同号) 18001959627
Website: http://www.jinjinlechem.com
Company Name: Shanghai Yanze Chemical Co., Ltd.  Gold
Telephone: 15345144255 19901447308
Website: www.chemicalbook.com/showsupplierproductslist1931493/0_en.htm
Company Name: Shandong Jiu 'an Chemical Industry Co. LTD  Gold
Telephone: 88983706 13081423666
Website: www.jiuanchem.com
Company Name: Shandong Xibang Biological Technology Development Co. LTD  Gold
Telephone: 0536-3611186 15063661551
Website: http://www.xibangbio.com/
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: 3B Pharmachem (Wuhan) International Co.,Ltd.  
Telephone: 18930552037
Website: www.chemicalbook.com/showsupplierproductslist13285/0_en.htm
Company Name: future industrial shanghai co., ltd  
Telephone: 400-0066400 13621662912
Website: http://www.jonln.com
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: Shanghai Rory Fine Chemical Co., Ltd  
Telephone: 0086-21-50702305
Website: www.rorychem.com
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Beijing HwrkChemical Technology Co., Ltd  
Telephone: 89508211 18501085097
Website: http://www.hwrkchemical.com
Company Name: BeiJing Hwrk Chemicals Limted  
Telephone: 0757-86329057 18934348241
Website: www.hwrkchemical.com/
Tags:107-96-0 Related Product Information
7659-86-1 68-11-1 814-71-1 50-44-2 57-11-4 59-30-3 55896-93-0 367-51-1 67633-97-0 1044771-74-5 329-98-6 77-92-9 60-24-2 2935-90-2 52-90-4 79-42-5 52-89-1 3374-22-9