2-Hydroxy-5-(hydroxymethyl)benzaldehyde

HCID 53142CAS 74901-08-9

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Grundinformationen

Standard-SMILES: O=Cc1cc(CO)ccc1O
InChIKey: MFHBKQHAPQBJFO-UHFFFAOYSA-N
Summenformel: C8H8O3
Durchschnittliche Molmasse: 152,15 g/mol
Monoisotopische Masse: 152,04734411

Namen und Bezeichner

Bevorzugter Name: 2-Hydroxy-5-(hydroxymethyl)benzaldehyde
IUPAC: 2-hydroxy-5-(hydroxymethyl)benzaldehyde
Englischer Name: 2-Hydroxy-5-hydroxymethyl-benzaldehyde
Summenformel: C8H8O3
Molmasse: 152.15

Namen und Synonyme

2-hydroxy-5-(hydroxymethyl)benzaldehydeRefChem:473247884-752-274901-08-93-08-00-02136 (Beilstein Handbook Reference)BENZALDEHYDE, 2-HYDROXY-5-(HYDROXYMETHYL)-BRN 3237579MFCD004569415-hydroxymethylsalicylaldehyde5-(Hydroxymethyl)salicylaldehyde2-HYDROXY-5-HYDROXYMETHYL-BENZALDEHYDESalicylaldehyde, 5-(hydroxymethyl)-

Weitere Namen anzeigen

2-hydroxy-5-methylol-benzaldehyde

2-hydroxy-5-hydroxymethylbenzaldehyde5-(Hydroxymethyl)salicylald5-hydroxymethyl-salicylaldehydeSCHEMBL5528390SCHEMBL29657596DTXSID30225880MFHBKQHAPQBJFO-UHFFFAOYSA-NALBB-013979

Datenbank-Bezeichner

CAS: 74901-08-9
PubChem CID: 53142
DTXSID: DTXSID30225880
EC Number: 884-752-2
Nikkaji: J1.321.833A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 135

Physikochemische Eigenschaften

Siedepunkt: 306.5 · 306.5±32.0 °C(Predicted)
Dichte: 1.342 · 1.342±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 7.95 · 7.95±0.18(Predicted)
Aggregatzustand: solid
Farbe: Off-white to light yellow
InChI: InChI=1S/C8H8O3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,5,9,11H,4H2
InChIKey: MFHBKQHAPQBJFO-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(CO)=CC=C1O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.