ChemicalBook CAS DataBase List 107-96-0

107-96-0

Name	3-Mercaptopropionic acid
CAS	107-96-0
EINECS(EC#)	203-537-0
Molecular Formula	C3H6O2S
MDL Number	MFCD00004897
Molecular Weight	106.14
MOL File	107-96-0.mol

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

Chemical Properties

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 Data

Symbol(GHS)	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 . less more
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) . less more
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 less more

Raw materials And Preparation Products

Hazard Information

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).

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Questions And Answer

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107-96-0

Chemical Properties

Safety Data

Raw materials And Preparation Products

Raw materials

Preparation Products

Hazard Information

Chemical Properties

Uses

Application

Definition

Reactions

General Description

Agricultural Uses

Biological Activity

References

Material Safety Data Sheet(MSDS)

Questions And Answer

Anti-cancer properties

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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