4-(Hydroxymethyl)benzaldehyde

HCID 556330

Notes Reactions

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Basic information

CAS: 52010-97-6
Standard SMILES: O=Cc1ccc(CO)cc1
InChIKey: ZFHUHPNDGVGXMS-UHFFFAOYSA-N
Molecular formula: C8H8O2
Average molar mass: 136.15 g/mol
Monoisotopic mass: 136.0524295

Names & identifiers

Preferred name: 4-(Hydroxymethyl)benzaldehyde
IUPAC: 4-(hydroxymethyl)benzaldehyde
English name: 4-Hydroxymethylbenzaldehyde
Molecular formula: C8H8O2
Molecular weight: 136.15

Names & synonyms

4-(hydroxymethyl)benzaldehyde52010-97-6DTXSID10966345RefChem:516183DTXCID001393983815-097-24-HydroxymethylbenzaldehydeMFCD118701914-hydroxymethyl-benzaldehydep-(hydroxymethyl)benzaldehydea-Hydroxy-p-tolualdehydep-hydroxymethylbenzaldehyde

Show more names

Benzaldehyde,4-(Hydroxymethyl-P-Tolualdehyde,A-Hydroxy- (6Ci,7Ci

4-hydroxymethylbenzaidehyde4-(hydroxymethyl)-benzaldehydeSCHEMBL1124751AKOS016002000SY023702EN300-26282035745-55-2Z1255384176

Database identifiers

CAS: 52010-97-6
PubChem CID: 556330
DTXSID: DTXSID10966345
EC Number: 815-097-2
Nikkaji: J30.704A

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 104

Physicochemical properties

Melting point: 47 °C · 47 °C(Solv: ligroine (8032-32-4))
Boiling point: 291.2 · 291.2±15.0 °C(Predicted)
Density: 1.184 · 1.184±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
form: powder
pka: 14 · 14.00±0.10(Predicted)
color: White
InChI: InChI=1S/C8H8O2/c9-5-7-1-2-8(6-10)4-3-7/h1-5,10H,6H2
InChIKey: ZFHUHPNDGVGXMS-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(CO)C=C1
Symbol(GHS): 7 · GHS07,GHS08,GHS02
Signal word: Warning
Hazard statements: 302 · H302+H332-H315-H319-H371-H335-H226
Precautionary statements: 501 · P501-P260-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P308+P311-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P304+P340+P312-P403+P233-P403+P235-P405
HS Code: 2913000090 · 2913000090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2913000090
Signal word: Warning
Symbol(GHS): GHS07,GHS08,GHS02
Hazard statements: H302+H332-H315-H319-H371-H335-H226
Precautionary statements: P501-P260-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P308+P311-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P304+P340+P312-P403+P233-P403+P235-P405