1,2,4-Triethoxybenzene

HCID 179526

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Basic information

CAS: 41827-15-0
Standard SMILES: CCOc1ccc(OCC)c(OCC)c1
InChIKey: MTXHYYFYFLXUEN-UHFFFAOYSA-N
Molecular formula: C12H18O3
Average molar mass: 210.27 g/mol
Monoisotopic mass: 210.12559443

Names & identifiers

Preferred name: 1,2,4-Triethoxybenzene
IUPAC: 1,2,4-triethoxybenzene
English name: 1,2,4-Triethoxybenzene
Molecular formula: C12H18O3
Molecular weight: 210.27

Names & synonyms

1,2,4-triethoxybenzene41827-15-0DTXSID20194632RefChem:71549DTXCID60117123692-676-4MFCD00026769Pirenoxine Impurity 1benzene, 1,3,4-triethoxy-SCHEMBL2498271SCHEMBL3651311SCHEMBL3652020

Show more names

Benzene, 1,2,4-triethoxy-

SCHEMBL7232392SCHEMBL29657372MTXHYYFYFLXUEN-UHFFFAOYSA-NGEO-04504AKOS027339219AS-57789SY316667CS-0061647

Database identifiers

CAS: 41827-15-0
PubChem CID: 179526
DTXSID: DTXSID20194632
EC Number: 692-676-4
Nikkaji: J32.100A

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 15
Formal charge: 0
Complexity: 161

Physicochemical properties

Melting point: 34 °C · 34 °C
Boiling point: 128 °C · 128 °C(Press: 15 Torr)
Density: 0.996 · 0.996±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 261 · P261-P280-P305+P351+P338-P304+P340

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.