Tert-butyl 2-(4-formylphenoxy)acetate

HCID 639902

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 276884-77-6
Standard SMILES: CC(C)(C)OC(=O)COc1ccc(C=O)cc1
InChIKey: TZONEPGXYVZUKR-UHFFFAOYSA-N
Molecular formula: C13H16O4
Average molar mass: 236.26 g/mol
Monoisotopic mass: 236.10485899

Names & identifiers

Preferred name: Tert-butyl 2-(4-formylphenoxy)acetate
IUPAC: tert-butyl 2-(4-formylphenoxy)acetate
English name: tert-Butyl 2-(4-formylphenoxy)acetate
Molecular formula: C13H16O4
Molecular weight: 236.26

Names & synonyms

tert-butyl 2-(4-formylphenoxy)acetate276884-77-6MFCD09192333tert-butyl (4-formylphenoxy)acetateAcetic acid, 2-(4-formylphenoxy)-, 1,1-dimethylethyl estertert-Butyl2-(4-formylphenoxy)acetate(4-formyl-phenoxy)-acetic acid tert-butyl esterSCHEMBL336534DTXSID80348679TZONEPGXYVZUKR-UHFFFAOYSA-NBLA884774-t-butoxycarbonylmethoxybenzaldehyde

Show more names

2-(4-formylphenoxy)acetateert-Butyl 2-(4-formylphenoxy)acetate1,1-Dimethylethyl 2-(4-formylphenoxy)acetate

AKOS0087159474-(tert-Butoxycarbonylmethoxy)benzaldehydeAS-70592SY335382DB-3718174-[(tert-butoxycarbonylmethyl)oxy]benzaldehydeF236176acetic acid, (4-formylphenoxy)-, 1,1-dimethylethyl ester

Database identifiers

CAS: 276884-77-6
PubChem CID: 639902
DTXSID: DTXSID80348679
EC Number: 182-798-1

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 17
Formal charge: 0
Complexity: 259

Physicochemical properties

Melting point: 56 · 56-57 °C
Boiling point: 344 · 344.0±17.0 °C(Predicted)
Density: 1.118 · 1.118±0.06 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
Appearance: White to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338

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, P319, P321, P330, P332+P317, P337+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.