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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 80922Generated: October 26, 2026

3,4,5-Trimethoxytoluene

Benzene, 1,2,3-trimethoxy-5-methyl- · 1,2,3-Trimethoxy-5-methylbenzene · TriMethoxytoluene · 3,4,5-Trimethoxytolu · Trimethoprim Lactnte · 3,4,5-trimethoxytoluen · 3,4,5-Trimethoxytolune · 3,4,5-TRIMETHOXYTOLUENE

https://huagongshe.com/en/chemical/80922

3,4,5-Trimethoxytoluene molecular structure

Identifiers & Physical Properties

CAS No.6443-69-2
Molecular formulaC10H14O3
Average molar mass182.22 g/mol
Monoisotopic mass182.0942943 g/mol
SMILESCOc1cc(C)cc(OC)c1OC
InChIKeyKCIZTNZGSBSSRM-UHFFFAOYSA-N
PubChem CID80922
ChEMBLCHEMBL156710
ChEBICHEBI:81354
EC No.229-239-0
DTXSIDDTXSID80214683

Chemical & Physical Properties

XLogP1.8
Topological polar surface area27.7
Hydrogen bond donors0
Hydrogen bond acceptors3
Rotatable bonds3
Heavy atoms13
Formal charge0
Complexity135
Kovats Retention Index140014191421143514101406.514081395.114071404.82041
Melting point24-26 °C (lit.)
Boiling point117-118 °C/5 mmHg (lit.)
Density1.082 g/mL at 25 °C (lit.)
Refractive indexn20/D 1.523(lit.)
Flash point166 °F
Storage conditionsSealed in dry,Room Temperature
Physical statepowder to lump to clear liquid
ColorWhite or Colorless to Light yellow
Specific gravity1.082
BRN1953791
InChI1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3
InChIKeyKCIZTNZGSBSSRM-UHFFFAOYSA-N
SMILESCOc1cc(C)cc(OC)c1OC
LogP (partition coefficient)1.819 (est)
CAS DataBase Reference6443-69-2(CAS DataBase Reference)
NIST Chemistry ReferenceBenzene, 1,2,3-trimethoxy-5-methyl-(6443-69-2)
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH227
GHS precautionary statementsP210e-P280a-P370+P378a-P403+P235-P501a
Personal protective equipment (PPE)Eyeshields, Gloves, type N95 (US)
Hazard symbolsXi
Safety statements (S)23-24/25
Water hazard class (WGK)3
Customs code29093090
Storage class10 - Combustible liquids
REACH registrationsActive

Safety & Regulations

GHS classificationThis chemical does not meet GHS hazard criteria for 100% (107 of 107) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 107 of 107 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 107 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 107 of 107 reports by companies.There are 0 notifications provided by 0 of 107 reports by companies with hazard statement code(s).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.
Regulatory informationStatus: Active Update: 20-10-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/7738Status: Active Update: 29-10-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12700
Hazard Classes and CategoriesNot Classified
Personal protective equipment (PPE)Eyeshields, Gloves, type N95 (US)
Water hazard class (WGK)3
Customs code29093090
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsXi
Safety statements (S)23-24/25
Storage class10 - Combustible liquids
GHS hazard statementsH227
REACH registrationsActive
GHS precautionary statementsP210e-P280a-P370+P378a-P403+P235-P501a

Applications & Uses

Uses

3,4,5-Trimethoxytoluene is a reagent for oxadiazolylindazole sodium channel modulators which are neuroprotective toward hippocampal neurons.

Uses

3,4,5-Trimethoxytoluene was used as a substructure model compound in the reaction of trimethoprim with free available chlorine (i.e. HOCl).