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

HCID 19782904

基本情報

CAS: 106168-20-1
標準SMILES: O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[H+].[H+].[H+]
InChIKey: KRKNYBCHXYNGOX-UHFFFAOYSA-N
分子式: C6H8O7
平均分子量: 192.12 g/mol

概要

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.

名称と識別子

優先名称: 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
英語名: Amines, tallow alkyl, reaction products with formaldehyde and phenol, ethoxylated, acetates (salts)
分子量: 0

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

極性表面積: 141 Å²
水素結合供与体数: 4
水素結合受容体数: 7
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 211

実験および物理化学的性質

LogP-1.64

Solubility592.0 mg/mL

Melting Point153 °C

Physical DescriptionSolid

Dissociation Constants2.79

安全と法規制

GHS分類

GHS Classification · 4 件

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)

危険有害性情報

Regulatory Information · 4 件

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 件

Hazardous to the aquatic environment (chronic) - category 3

Aquatic Chronic 3

化学と産業

薬理情報

Tissue LocationsAll Tissues

Cellular LocationsCytoplasm

Metabolite Pathways2-ketoglutarate dehydrogenase complex deficiency

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