3-巯基丙酸

Description

3-Mercaptopropionic acid · CAS 107-96-0 · C3H6O2S. UNII B03TJ3QU9M. Boiling Point: 111 °C AT 15 MM HG; Boiling Point: 110.00 to 111.00 °C. @ 15.00 mm Hg; Boiling Point: 110-111 °C (15 mmHg).

Identification

CAS Registry Number	107-96-0
PubChem CID	6514
Molecular formula	C3H6O2S
IUPAC name	3-sulfanylpropanoic acid
UNII (FDA)	B03TJ3QU9M
FEMA number	4587
JECFA number	1936

Computed Descriptors

Molecular Weight	106.15
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	106.00885060
Monoisotopic Mass	106.00885060
Topological Polar Surface Area	38.3
Heavy Atom Count	6
Formal Charge	0

Physical & Chemical Properties

Boiling Point	111 °C AT 15 MM HG
Boiling Point	110.00 to 111.00 °C. @ 15.00 mm Hg
Boiling Point	110-111 °C (15 mmHg)
Melting Point	16.8 °C
Flash Point	93 °C
Density	1.218 AT 21 °C
Density	1.220-1.226 (20 °C)
Density	1.218 @ 21°C
Vapor Pressure	0.04 [mmHg]
LogP	0.430

Physical description & handling notes

• Liquid
• Clear liquid or solid; [HSDB] Colorless liquid with a stench; mp = 17-19 deg C; [MSDSonline]
• Clear colourless to pale yellow oily liquid; Roasted sulphureous aroma
• CLEAR LIQUID
• AMORPHOUS CRYSTALS
• STRONG & ACRID, SULFIDE LIKE ODOR

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Savory No safety concern at current levels of intake when used as a flavouring agent TRS 960-JECFA 73/124
GHS notification summary	3.8% (36 / 942)

GHS Hazard Classification

GHS notification summary	3.8% (36 / 942)
Reported hazard statements	H290 (76.4%), H301 (96.2%), H311 (10.2%), H314 (95.9%), H318 (76.4%), H332 (77.7%), H335, H370

Documented Uses

• Used as a stabilizer, antioxidant, catalyst, chemical intermediate, and experimental convulsant agent; [HSDB]
• STABILIZER; ANTIOXIDANT; CATALYST; CHEMICAL INTERMEDIATE
• HAS BEEN TRIED IN COLD-WAVE PREPARATIONS
• AS EXPERIMENTAL CONVULSANT AGENT
• CHEM INT FOR 3,3'-THIODIPROPIONIC ACID-MAY BE UNISOLATED
• For more Uses (Complete) data for 3-MERCAPTOPROPIONIC ACID (8 total), please visit the HSDB record page.

Synonyms

3-MERCAPTOPROPIONIC ACID; 3-Mercaptopropanoic acid; 107-96-0; 3-Sulfanylpropanoic acid; 3-Thiopropanoic acid; 3-Thiopropionic acid; beta-Mercaptopropionic acid; Propanoic acid, 3-mercapto-; 3MPA; 2-Mercaptoethanecarboxylic acid; beta-Thiopropionic acid; Thiohydracrylic acid; beta-Mercaptopropanoic acid; DTXSID8026775; Propionic acid, 3-mercpato-; 3 Mercaptopropionic Acid

Frequently Asked Questions

What are the CAS number and molecular formula of 3-Mercaptopropionic acid?

CAS 107-96-0; molecular formula C3H6O2S; molecular weight — g/mol.

What other names is 3-Mercaptopropionic acid known by?

3-MERCAPTOPROPIONIC ACID, 3-Mercaptopropanoic acid, 107-96-0, 3-Sulfanylpropanoic acid, 3-Thiopropanoic acid, 3-Thiopropionic acid.

What is the regulatory status of 3-Mercaptopropionic acid?

Documented regulatory listings: FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; FLAVOURING_AGENT: Flavouring Agent; Flavoring Agents.

Is 3-Mercaptopropionic acid classified as hazardous?

3.8% of GHS notifications report no hazard classification (36 of 942).

What are the key physical properties of 3-Mercaptopropionic acid?

Boiling Point: 111 °C AT 15 MM HG; Boiling Point: 110.00 to 111.00 °C. @ 15.00 mm Hg; Boiling Point: 110-111 °C (15 mmHg); Melting Point: 16.8 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.