Reaction products of: Poly(vinyl acetate), Partially hydrolyzed, with (E)-2-(4-Formylstyryl)-3,4-dimethylthiazoliummethyl sulfate

HCID 19782904CAS 106168-20-1
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Grundinformationen

Standard-SMILES
O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[H+].[H+].[H+]
InChIKey
KRKNYBCHXYNGOX-UHFFFAOYSA-N
Summenformel
C6H8O7
Durchschnittliche Molmasse
192,12 g/mol

Überblick

A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium-chelating ability. Citric acid is one of the active ingredients in Phexxi, a non-hormonal contraceptive agent that was approved by the FDA on May 2020. It is also used in combination with magnesium oxide to form magnesium citrate, an osmotic laxative.

Namen und Bezeichner

Bevorzugter Name
Reaction products of: Poly(vinyl acetate), Partially hydrolyzed, with (E)-2-(4-Formylstyryl)-3,4-dimethylthiazoliummethyl sulfate
IUPAC
hydron;2-hydroxypropane-1,2,3-tricarboxylate
Englischer Name
Amines, tallow alkyl, reaction products with formaldehyde and phenol, ethoxylated, acetates (salts)
Molmasse
0

Namen und Synonyme

117148-05-7125139-08-4106168-20-1106809-03-4125139-09-5153301-06-516922-05-7SCHEMBL445486DE 71SEA14805Hexanedioic acid, polymer with 2,2-bis(hydroxymethyl)-1,3-propanediol, 1,3-isobenzofurandione and 2,2-oxybisethanol, 2-propenoateReaction products of: Poly(vinyl acetate), Partially hydrolyzed, with (E)-2-(4-Formylstyryl)-3,4-dimethylthiazoliummethyl sulfate
Weitere Namen anzeigen
Amines, tallow alkyl, reaction products with formaldehyde and phenol, ethoxylated, acetates (salts)

Datenbank-Bezeichner

CAS
106168-20-1、117148-05-7、125139-08-4、153301-06-5、77-92-9
PubChem CID
19782904
EC Number
406-460-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
141 Ų
H-Brücken-Donoren
4
H-Brücken-Akzeptoren
7
Frei drehbare Bindungen
2
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

LogP-1.64
Solubility592.0 mg/mL
Melting Point153 °C
Physical DescriptionSolid
Dissociation Constants2.79

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Neodecanoic acid, oxiranylmethyl ester, polymer with ethenylbenzene, 2-hydroxyethyl 2-methyl-2-propenoate, methyl 2-methyl-2-propenoate, 1,2-propanediol mono(2-methyl-2-propenoate) and 2-propenoic acid

Chemical: Amines, tallow alkyl, reaction products with formaldehyde and phenol, ethoxylated, acetates (salts)

REACH registered substance: Reaction products of: poly(vinyl acetate), partially hydrolyzed, with (E)-2-(4-formylstyryl)-3,4-dimethylthiazoliummethyl sulfate (EC: 406-460-2)

Neodecanoic acid, oxiranylmethyl ester, polymer with ethenylbenzene, 2-hydroxyethyl 2-methyl-2-propenoate, methyl 2-methyl-2-propenoate, 1,2-propanediol mono(2-methyl-2-propenoate) and 2-propenoic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 2 Einträge

Hazardous to the aquatic environment (chronic) - category 3

Aquatic Chronic 3

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsAll Tissues
Cellular LocationsCytoplasm
Metabolite Pathways2-ketoglutarate dehydrogenase complex deficiency

Anbieter1 Anbieter

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