CAS 161876-64-8 4-Ethyl-2-hydroxybenzaldehyde (HCID 10236017)

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Basic information

CAS: 161876-64-8
Standard SMILES: CCc1ccc(C=O)c(O)c1
InChIKey: GHKLSRUKZUYUAD-UHFFFAOYSA-N
Molecular formula: C9H10O2
Average molar mass: 150.17 g/mol
Monoisotopic mass: 150.06807956

Names & identifiers

Preferred name: 4-Ethyl-2-hydroxybenzaldehyde
IUPAC: 4-ethyl-2-hydroxybenzaldehyde
English name: Benzaldehyde, 4-ethyl-2-hydroxy- (9CI)
Molecular formula: C9H10O2
Molecular weight: 150.17

Names & synonyms

161876-64-84-Ethyl-2-hydroxybenzaldehydeDTXSID70437026RefChem:292554DTXCID70387850967-086-84-EthylsalicylaldehydeBENZALDEHYDE, 4-ETHYL-2-HYDROXY-MFCD16997668Benzaldehyde, 4-ethyl-2-hydroxy- (9CI)5-ethyl-2-formylphenol4-ethyl-2-hydroxy-benzaldehyde

Show more names

SCHEMBL1527080GHKLSRUKZUYUAD-UHFFFAOYSA-NLGA87664AKOS027256895MB23811DS-10192SY026477DB-128929

Database identifiers

CAS: 161876-64-8
PubChem CID: 10236017
DTXSID: DTXSID70437026
EC Number: 967-086-8

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 134

Physicochemical properties

Boiling point: 247.3 · 247.3±20.0 °C(Predicted)
Density: 1.134 · 1.134±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 8.27 · 8.27±0.10(Predicted)
Appearance: Light yellow to yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2914500090 · 2914500090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.