2-Hydroxy-5-(hydroxymethyl)benzaldehyde

HCID 53142CAS 74901-08-9

Substructure search Find similar structures

Basic information

Standard SMILES: O=Cc1cc(CO)ccc1O
InChIKey: MFHBKQHAPQBJFO-UHFFFAOYSA-N
Molecular formula: C8H8O3
Average molar mass: 152.15 g/mol
Monoisotopic mass: 152.04734411

Names & identifiers

Preferred name: 2-Hydroxy-5-(hydroxymethyl)benzaldehyde
IUPAC: 2-hydroxy-5-(hydroxymethyl)benzaldehyde
English name: 2-Hydroxy-5-hydroxymethyl-benzaldehyde
Molecular formula: C8H8O3
Molecular weight: 152.15

Names & synonyms

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)-

Show more names

2-hydroxy-5-methylol-benzaldehyde

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 135

Physicochemical properties

Boiling point: 306.5 · 306.5±32.0 °C(Predicted)
Density: 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)
form: solid
color: 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
EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
HazardClass: IRRITANT
HS Code: 2913000090 · 2913000090

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)

Safety data

hs_code: 2913000090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501