Methyl 2,4,6-trimethoxybenzoate
Basic information
- CAS
29723-28-2- Standard SMILES
COC(=O)c1c(OC)cc(OC)cc1OC- InChIKey
CEARZEQLIHOYSV-UHFFFAOYSA-N- Molecular formula
- C11H14O5
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.08412354
Names & identifiers
- Preferred name
- Methyl 2,4,6-trimethoxybenzoate
- IUPAC
- methyl 2,4,6-trimethoxybenzoate
- English name
- 2,4,6-TRIMETHOXY-BENZOIC ACID METHYL ESTER
- Molecular formula
- C11H14O5
- Molecular weight
- 226.23
Names & synonyms
methyl 2,4,6-trimethoxybenzoateDTXSID70302583RefChem:157218DTXCID60253717635-705-829723-28-2Benzoic acid, 2,4,6-trimethoxy-, methyl esterPhloroglucinol Impurity QMFCD004556232,4,6-Trimethoxybenzoic acid methyl esterMethyl2,4,6-trimethoxybenzoateNSC151971
Show more names
NSC 151971RARECHEM AL BF 0532Vanillin Impurity 8Phloroglucinol Impurity 60Trimethylphloroglucinol impurity H2,4,6-TRIMETHOXY-BENZOIC ACID METHYL ESTER
SCHEMBL2563067SCHEMBL2865066SCHEMBL7956511CHEMBL2252252CEARZEQLIHOYSV-UHFFFAOYSA-NAKOS015965532FT67477NSC-151971
Database identifiers
- CAS
29723-28-2- PubChem CID
- 289740
- DTXSID
DTXSID70302583- ChEMBL
CHEMBL2252252- EC Number
- 635-705-8
- Nikkaji
- J3.282.815I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 343.8 · 343.8±37.0 °C(Predicted)
- Density
- 1.134 · 1.134±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Suppliers
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Related reactions
4 records
Compound notes
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