CAS 15182-94-2 4-(2-(Diethylamino)-Ethoxy)-Benzaldehyde (HCID 411674)

Substructure search Find similar structures

Basic information

CAS: 15182-94-2
Standard SMILES: CCN(CC)CCOc1ccc(C=O)cc1
InChIKey: NYCUSYCCGKZKBM-UHFFFAOYSA-N
Molecular formula: C13H19NO2
Average molar mass: 221.29 g/mol
Monoisotopic mass: 221.14157885

Names & identifiers

Preferred name: 4-(2-(Diethylamino)-Ethoxy)-Benzaldehyde
IUPAC: 4-[2-(diethylamino)ethoxy]benzaldehyde
English name: 4-(2-(Diethylamino)-ethoxy)-benzaldehyde
Molecular formula: C13H19NO2
Molecular weight: 221.3

Names & synonyms

15182-94-24-[2-(Diethylamino)ethoxy]benzaldehyde4-(2-(Diethylamino)-Ethoxy)-Benzaldehyde4-(2-(diethylamino)ethoxy)benzaldehydeDTXSID30328547RefChem:512007DTXCID00279653654-113-0Benzaldehyde,4-[2-(diethylamino)ethoxy]-4-(2-Diethylamino-ethoxy)-benzaldehydestarbld0000283SCHEMBL870305

Show more names

4-(diethyl-amino-ethoxy-)-benz-aldehydeBenzaldehyde, 4-[2-(diethylamino)ethoxy]-

4-diethylaminoethoxybenzaldehydeSCHEMBL8995210NYCUSYCCGKZKBM-UHFFFAOYSA-N4-(diethylamino)ethoxy benzaldehydeQAA18294MFCD000652864-(2-diethylamino-ethoxy)benzaldehyde4-(2-diethylaminoethoxy)-benzaldehyde

Database identifiers

CAS: 15182-94-2
PubChem CID: 411674
DTXSID: DTXSID30328547
EC Number: 654-113-0
Nikkaji: J307.664D

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 16
Formal charge: 0
Complexity: 184

Physicochemical properties

Boiling point: 168 °C · 168 °C(Press: 6 Torr)
Density: 1.029 · 1.029±0.06 g/cm3(Predicted)
pka: 9.5 · 9.50±0.25(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H335-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 38 reports by companies from 1 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 CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H318-H335-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310