Sodium 4-hydroxybenzoate

HCID 16219477CAS 114-63-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C([O-])c1ccc(O)cc1.[Na+]
InChIKey: ZLVSYODPTJZFMK-UHFFFAOYSA-M
Summenformel: C7H5NaO3
Durchschnittliche Molmasse: 160,1 g/mol
Monoisotopische Masse: 160,0136383

Namen und Bezeichner

Bevorzugter Name: Sodium 4-hydroxybenzoate
IUPAC: sodium 4-hydroxybenzoate

Namen und Synonyme

Sodium 4-hydroxybenzoateSodium p-hydroxybenzoate4-Hydroxybenzoic acid sodium saltsodium parabenBenzoic acid, 4-hydroxy-, monosodium saltp-Hydroxybenzoic acid sodium saltMonosodium p-hydroxybenzoateMonosodium 4-hydroxybenzoateBenzoic acid, 4-hydroxy-, sodium salt (1:1)EINECS 204-051-1p-hydroxybenzoic acid monosodium saltV6102T509B

Weitere Namen anzeigen

DTXSID3059426BENZOIC ACID, p-HYDROXY-, SODIUM SALTCHEBI:113449SODIUM 4-HYDROXYBENZOIC ACIDBENZOIC ACID, P-HYDROXY-, MONOSODIUM SALTRefChem:887100SODIUM PARABEN [INCI]DTXCID5033337

Datenbank-Bezeichner

CAS: 114-63-6
PubChem CID: 16219477
DTXSID: DTXSID3059426
ChEMBL: CHEMBL1762656
ChEBI: CHEBI:113449
UNII: V6102T509B
EC Number: 204-051-1

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 60,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 130

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 3.5% (3 of 86) of reports.

Warning

H315 (96.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 86 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 86 reports by companies.；There are 5 notifications provided by 83 of 86 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationBenzoic acid, 4-hydroxy-, monosodium salt: 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 CategoriesSkin Irrit. 2 (96.5%)；Eye Irrit. 2 (96.5%)；STOT SE 3 (95.3%)

Toxikologische Informationen

Toxicity Summary · 2 Einträge

The CIR Expert Panel concluded that the following 20 parabens are safe in cosmetics in the present practices of use and concentration described in the safety assessment when the sum of the combined concentration of parabens in any given formulation does not exceed 0.8 %...Sodium Paraben...

Safe for use in cosmetics, with qualifications