1,2,4-Trimethoxybenzene

HCID 67284

Notes Reactions

Completing data — usually done within a minute

Substructure search Find similar structures

Basic information

CAS: 135-77-3
Standard SMILES: COc1ccc(OC)c(OC)c1
InChIKey: AGIQIOSHSMJYJP-UHFFFAOYSA-N
Molecular formula: C9H12O3
Average molar mass: 168.192 g/mol
Monoisotopic mass: 168.07864424

Names & identifiers

Preferred name: 1,2,4-Trimethoxybenzene
IUPAC: 1,2,4-Trimethoxybenzene
English name: 1,2,4-Trimethoxybenzene
Molecular formula: C9H12O3
Molecular weight: 168.19

Names & synonyms

TMB 1241,2,4-TriMetho4-Trimethoxybenzenecerium(3+) phosphate1,2,4-Trimethoxybenz1,2,4-Trimethoxybenzol1,2,4-Trimthoxybenzene1,4,5-Trimethoxybenzene1,2,4-trimethoxy-benzen1,2,4-TRIMETHOXYBENZENE

Database identifiers

CAS: 135-77-3
PubChem CID: 67284
DTXSID: DTXSID5035163
ChEMBL: CHEMBL1668605
ChEBI: CHEBI:167092
UNII: 3KU3WD07SS
EC Number: 205-219-7
Nikkaji: J141.476C

Properties

Physicochemical properties

Boiling point: 247 °C · 247 °C(lit.)
Density: 1.126 g/mL · 1.126 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.533(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform, Ethyl Acetate
form: Oil
color: Clear Colourless
Water Solubility: Not miscible in water.
Merck: 14 · 14,1073
BRN: 2047579 · 2047579
LogP: 1.64 · 1.640 (est)
CAS DataBase Reference: 135 · 135-77-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 3 KU3WD07SS · 3KU3WD07SS
NIST Chemistry Reference: 1 · 1,2,4-Trimethoxybenzene(135-77-3)
EPA Substance Registry System: 1 · 1,2,4-Trimethoxybenzene (135-77-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Safety Statements: 23 · 23-24/25
WGK Germany: 3 · 3
RTECS: 2770000 · DC2770000
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 29093090 · 29093090

Safety & regulation

Safety data

wgk: 3
tsca: TSCA listed
rtecs: DC2770000
hs_code: 29093090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 23-24/25
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses1,2,4-Trimethoxybenzene is used as a reagent in the synthesis of barbigerone derivatives which can be used as antiproliferative and antiangiogenesis agents. Also used as a reagent in the synthesis of Malvone A (M161525) which is a phytoalexin found in Malva sylvestris.