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3-Mercaptopropionic acid

3-Mercaptopropionic acid structure

CAS No:
107-96-0
Formula:
C3H6O2S
Chemical Name:
3-Mercaptopropionic acid
Synonyms:
Propanoic acid,3-mercapto-;Propionic acid,3-mercapto-;Propionic acid,β-mercapto-;3-Mercaptopropanoic acid;3-Mercaptopropionic acid;β-Mercaptopropionic acid;β-Thiopropionic acid;3-Thiopropionic acid;Mercaptopropionic acid;3-Thiopropanoic acid;β-Mercaptopropanoic acid;MPA;Thiohydracrylic acid;2-Mercaptoethanecarboxylic acid;NSC 437;NSC 45157;BMPA (thiol);BMPA;3-Sulfanylpropanoic acid;803635-69-0;1629856-14-9;2018279-94-0
Categories:
Cosmetic Ingredient > Depilatory

Description

Liquid

Liquid|Clear colourless to pale yellow oily liquid; Roasted sulphureous aroma

3-mercaptopropanoic acid is a mercaptopropanoic acid that is propanoic acid carrying a sulfanyl group at position 3. It has a role as an algal metabolite. It is a conjugate acid of a 3-mercaptopropionate.|An inhibitor of glutamate decarboxylase. It decreases the GAMMA-AMINOBUTYRIC ACID concentration in the brain, thereby causing convulsions.

3-Mercaptopropionic acid Basic Attributes

Molecular Weight：

106.14400

Exact Mass：

106.14

EC Number：

203-537-0

UNII：

B03TJ3QU9M

NSC Number：

437

DSSTox ID：

DTXSID8026775

Color/Form：

CLEAR LIQUID|AMORPHOUS CRYSTALS

HScode：

2930909090

Characteristics

PSA：

76.10000

XLogP3：

0.4

Appearance：

Liquid

Density：

1.218 g/cm³ @ Temp: 21 °C

Melting Point：

16.8 °C

Boiling Point：

111 °C @ Press: 15 Torr

Flash Point：

93ºC

Refractive Index：

1.491-1.493

Water Solubility：

Soluble

Storage Conditions：

Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Corrosives area.

Vapor Pressure：

0.04 mm Hg ( 20 °C)

Odor：

STRONG & ACRID, SULFIDE LIKE ODOR

Dissociation Constants：

PKA: 4.34

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2922

wgk germany：

hazard class code：

R23/24/25; R34

safety instructions：

S26-S36/37/39-S45

RTECS Number：

UF5270000

Marks：

Stability/Shelf Life：

Has not been fully evaluated.

Precautionary statement(s)：

P280-P301 + P310-P305 + P351 + P338-P310

Hazard Statements：

H301-H314

GHS Classification：

|Danger|H290 (52.92%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P260, P261, P264, P270, P271, P280, P284, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P361, P363, P390, P403+P233, P404, P405, and P501|Aggregated GHS information provided by 397 companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P307+P311, P310, P312, P321, P330, P363, P403+P233, P405, and P501

Preventive Measures：

ADEQUATE VENTILATION & PREVENTION OF CONTACT WITH BODY SURFACES ARE NEEDED IN HANDLING IN INDUSTRY.

Toxicity

Interactions：

VALPROIC ACID INHIBITED THE INDUCTION OF SEIZURES BY 3-MERCAPTOPROPIONIC ACID; BOTH TONIC & CLONIC PHASES WERE SUPPRESSED & ONLY THE INITIAL PHASE REMAINED. IN 3-MERCAPTOPROPIONIC ACID TREATED RATS, THE ANTICONVULSANT ACTION OF VALPROIC ACID WAS ANTAGONIZED.|PRETREATMENT OF RATS WITH 50 MG/KG OF PHENOBARBITONE PROTECTED AGAINST THE DEVELOPMENT OF SEIZURES & ABOLISHED THE INCR IN MITOCHONDRIAL RESPIRATION PRODUCED BY 3-MERCAPTOPROPIONIC ACID.|3-MERCAPTOPROPIONIC ACID WAS MORE SENSITIVE TO THE ANTICONVULSIVE ACTION OF MUSCIMOL THAN WAS EITHER PENTYLENETETRAZOL OR BICUCULLINE.

Drug Information

MeSH：

Substances used for their pharmacological actions on GABAergic systems. GABAergic agents include agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function. (See all compounds classified as GABA Agents.)|Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools. (See all compounds classified as Convulsants.)|Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

Human Toxicity Excerpts：

...EFFECTS OF LARGE NUMBER OF MERCAPTO ACIDS...ON SKIN OF...HUMANS. THE BETA-FORM DID NOT SENSITIZE HUMAN SUBJECTS, ALTHOUGH THE ALPHA-ISOMER GAVE AN INCIDENCE OF 10% SENSITIZATION.|IT IS...A SKIN IRRITANT.

MeSH Entry Terms：

3 Mercaptopropanoic Acid

3-Mercaptopropionic acid Use and Manufacturing

Methods of Manufacturing

REACTION OF BETA-PROPIOLACTONE WITH SODIUM HYDROGEN SULFIDE.|PROBABLY BY REACTION OF PROPENOIC ACID WITH HYDROGEN SULFIDE IN THE PRESENCE OF AN ALKALINE CATALYST

Uses

A compound suitable for amino acid analysis by means of OPA

Intermediates

Building/construction materials not covered elsewhere

Production

1,000,000 - 10,000,000 lb|(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS|(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Manufacturing Info：

All other chemical product and preparation manufacturing|Propanoic acid, 3-mercapto-: ACTIVE

Use Classification：

Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index|Cosmetics -> Depilatory; Hair waving or straightening; Reducing

Food Additive Classes：

Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents

Computed Properties

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
Complexity:52.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acrylonitrile

Acrylic acid

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Guide of 3-Mercaptopropionic acid

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Material
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