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3-Mercaptopropionic Acid

HCID 178840948
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Grundinformationen

CAS
30232-12-3
Standard-SMILES
O=C(O)CCS
InChIKey
DKIDEFUBRARXTE-UHFFFAOYSA-N
Summenformel
C3H6O2S
Durchschnittliche Molmasse
106,15 g/mol

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
3-Mercaptopropionic Acid
IUPAC
3-sulfanylpropanoic acid
Englischer Name
Mercaptopropionic acid
Molmasse
0

Namen und Synonyme

3-MERCAPTOPROPIONIC ACID3-Mercaptopropanoic acid107-96-03-Sulfanylpropanoic acid3-Thiopropanoic acid3-Thiopropionic acidbeta-Mercaptopropionic acidPropanoic acid, 3-mercapto-3MPA2-Mercaptoethanecarboxylic acidbeta-Thiopropionic acidThiohydracrylic acid
Weitere Namen anzeigen
beta-Mercaptopropanoic acidDTXSID8026775Propionic acid, 3-mercpato-3 Mercaptopropionic AcidB03TJ3QU9MNSC-437DTXCID106775FEMA NO. 4587

Datenbank-Bezeichner

CAS
30232-12-3
ChEMBL
CHEMBL358697
ChEBI
CHEBI:44111
UNII
B03TJ3QU9M
EC Number
203-537-0
Nikkaji
J38.166G

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
0,4
Polarare Oberfläche (TPSA)
38,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
6
Formalladung
0
Komplexität
52,8

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Organic Acids
CosmeticsHair waving or straightening; Reducing; Depilatory
SpringerMaterials PropertiesOptical coefficient
LogP · 2 Einträge

0.430

0.43

OdorSTRONG & ACRID, SULFIDE LIKE ODOR
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 3 Einträge

1.218 AT 21 °C

1.220-1.226 (20 °C)

1.218 @ 21°C

Color/Form · 2 Einträge

CLEAR LIQUID

AMORPHOUS CRYSTALS

Solubility · 4 Einträge

SOL IN WATER, ALCOHOL, BENZENE, & ETHER

Soluble

Practically insoluble or insoluble in water

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 3.8% (36 of 942) of reports.

Danger

H290 (76.4%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 942 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Propanoic acid, 3-mercapto-

Propanoic acid, 3-mercapto- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 3-mercapto- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 23-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5591

3-Mercaptopropionic acid: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards Summary · 1 Eintrag

Emergency treatment: irritants; [HSDB] An inhibitor of glutamate decarboxylase. It decreases the GAMMA-AMINOBUTYRIC ACID concentration in the brain, thereby causing convulsions. [ChemIDplus] A skin irritant; [HSDB] Causes cleft palate in mice at maternally toxic doses (maternal seizures); [REPROTOX] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 3 Einträge

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.

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

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.

Cellular LocationsCytoplasm

Verwendung und Herstellung

Uses · 6 Einträge

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.

U.S. Exports · 2 Einträge

(1979) No Data

(1981) No Data

U.S. Imports · 2 Einträge

(1979) No Data

(1981) No Data

U.S. Production · 3 Einträge

2023: 1,000,000 - <8,500,000 lb

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Consumer UsesPlasticizer
Industry Uses

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Soluble (in ethanol)

Flash Point93 °C
Boiling Point · 3 Einträge

111 °C AT 15 MM HG

110.00 to 111.00 °C. @ 15.00 mm Hg

110-111 °C (15 mmHg)

Melting Point · 2 Einträge

16.8 °C

16.8 °C

Hazard Classes and Categories · 2 Einträge

Met. Corr. 1 (76.4%)

Acute toxicity (Oral) - Category 3

Sicherheit und Schutzausrüstung

Preventive MeasuresADEQUATE VENTILATION & PREVENTION OF CONTACT WITH BODY SURFACES ARE NEEDED IN HANDLING IN INDUSTRY.
Protective Action Criteria (PAC) · 3 Einträge

1.2 [mg/m3]

13 [mg/m3]

80 [mg/m3]

Toxikologische Informationen

Interactions · 3 Einträge

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.

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Human Toxicity Excerpts · 2 Einträge

...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.

Non-Human Toxicity Excerpts · 4 Einträge

THE ORAL LD50 IN RATS OF THE UNDILUTED LIQUID WAS 50-400 MG/KG. THE SYMPTOMS WERE SIMILAR TO THIOGLYCOLIC ACID--WEAKNESS & CONVULSIONS. DEATHS OCCURRED WITHIN 30 MIN AFTER DOSING.

LIQUID APPEARS TO BE ABSORBED DIRECTLY THROUGH THE GUINEA PIG SKIN WITH DEATHS FROM AS LOW AS 5 ML/KG. SEVERE DELAYED ESCHAR FORMATION WAS NOTED. A 10% SOLN IN WATER APPLIED AS COMPRESS TO GUINEA PIG SKIN ALSO PRODUCES SEVERE DAMAGE & ESCHARS. NO DEATHS WERE PRODUCED AT THIS CONCN. IT IS NOT A SKIN SENSITIZER IN GUINEA PIG.

3-MERCAPTOPROPIONIC ACID (1 MILLIMOLAR) INHIBITED THE POTASSIUM-EVOKED RELEASE OF ENDOGENOUS GAMMA-AMINOBUTYRIC ACID FROM SLICES OF RAT HIPPOCAMPUS & CEREBRAL CORTEX IN VITRO.

IP ADMIN TO RATS DECR THE BRAIN GLUTAMATE DECARBOXYLASE ACTIVITY & GAMMA-AMINOBUTYRIC ACID LEVELS, INCR GAMMA-AMINOBUTYRIC ACID AMINOTRANSFERASE ACTIVITY, & DOSE-DEPENDENTLY ALTERED THE PURKINJE CELL MORPHOLOGY. AMINO ACIDS IMBALANCE OCCURRED IN THE CEREBELLUM.

Plasticizer
Methods of Manufacturing · 2 Einträge

REACTION OF BETA-PROPIOLACTONE WITH SODIUM HYDROGEN SULFIDE.

PROBABLY BY REACTION OF PROPENOIC ACID WITH HYDROGEN SULFIDE IN THE PRESENCE OF AN ALKALINE CATALYST

Use Classification · 3 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Cosmetics -> Hair waving or straightening; Reducing; Depilatory

General Manufacturing Information · 2 Einträge

Plastics Material and Resin Manufacturing

Propanoic acid, 3-mercapto-: ACTIVE