2-Hydroxy-2-(4-hydroxyphenyl)acetic acid hydrate

HCID 12677290

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Grundinformationen

CAS: 184901-84-6
Standard-SMILES: O.O=C(O)C(O)c1ccc(O)cc1
InChIKey: ATPBHLAWGXOMOR-UHFFFAOYSA-N
Summenformel: C8H10O5
Durchschnittliche Molmasse: 186,16 g/mol
Monoisotopische Masse: 186,05282342

Namen und Bezeichner

Bevorzugter Name: 2-Hydroxy-2-(4-hydroxyphenyl)acetic acid hydrate
IUPAC: 2-hydroxy-2-(4-hydroxyphenyl)acetic acid;hydrate
Englischer Name: 4-Hydroxymandelic acid monohydrate
Summenformel: C8H8O4.H2O
Molmasse: 186.16

Namen und Synonyme

2-Hydroxy-2-(4-hydroxyphenyl)acetic acid hydrateRefChem:473057629-301-0184901-84-6DL-4-HYDROXYMANDELIC ACID MONOHYDRATE4-Hydroxymandelic acid monohydrate7198-10-9MFCD001492832-hydroxy-2-(4-hydroxyphenyl)acetic acid;hydrateAKOS015963219SY057111Hydroxy(4-hydroxyphenyl)acetic acid--water (1/1)

Weitere Namen anzeigen

Dopamine Impurity 80DL-4-HydroxymandelicAcidMonohydrate>DL-4-HydroxyMandelic Acid Monohydrate, 98.0%(T)Benzeneacetic acid, α,4-dihydroxy-, hydrate (1:1)Benzeneacetic acid, a,4-dihydroxy-, hydrate (1:1)DL-ALPHA,4-DIHYDROXYPHENYLACETIC ACID MONOHYDRATE

hydroxy-(4-hydroxy-phenyl)-acetic acid monohydratehydrat3-Hydroxymandelic Acid MonohydrateP-hydroxy mandelic acid monohydrateA880752SCHEMBL564812DTXSID00506557p-Hydroxymandelic acid monohydrate

Datenbank-Bezeichner

CAS: 184901-84-6、7198-10-9
PubChem CID: 12677290
DTXSID: DTXSID00506557
EC Number: 230-569-2、629-301-0

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 78,8 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 82 · 82-85 °C(lit.)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: DMSO (Sparingly), Methanol (Slightly), Water (Slightly)
Aggregatzustand: Solid
Farbe: White to Pink to Light Purple
Wasserlöslichkeit: Soluble in water.
BRN: 2365374 · 2365374

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (91.3%): Causes skin irritation [Warning Skin corrosion/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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]