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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 243003Generated: October 26, 2026

Methyl 2-formylbenzoate

METHYL 2-FORMYLBENZOATE · methyl o-formylbenzoate · 2-CARBOMETHOXYBENZALDEHYDE · 2-aldehydeylmethyl benzoate · Methyl 2-formylbenzoate ,97% · 2-FORMYLBENZOICACIDMETHYLESTER · Phthalaldehydic acid methyl ester · Benzoicacid,2-formyl-,methylester

https://huagongshe.com/en/chemical/243003

Methyl 2-formylbenzoate molecular structure

Identifiers & Physical Properties

CAS No.4122-56-9
Molecular formulaC9H8O3
Average molar mass164.16 g/mol
Monoisotopic mass164.04734412 g/mol
SMILESCOC(=O)c1ccccc1C=O
InChIKeyYRMODRRGEUGHTF-UHFFFAOYSA-N
PubChem CID243003
EC No.802-108-0
DTXSIDDTXSID60961507

Chemical & Physical Properties

XLogP1.2
Topological polar surface area43.4
Hydrogen bond donors0
Hydrogen bond acceptors3
Rotatable bonds3
Heavy atoms12
Formal charge0
Complexity177
Melting point50 °C
Boiling point88 °C
Density1.181±0.06 g/cm3(Predicted)
Refractive index1.5411
Storage conditionsKeep in dark place,Sealed in dry,Room Temperature
Physical statesemi-solid
ColorColourless
InChI1S/C9H8O3/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-6H,1H3
InChIKeyYRMODRRGEUGHTF-UHFFFAOYSA-N
SMILESO=C(OC)C(C=CC=C1)=C1C=O
CAS DataBase Reference4122-56-9(CAS DataBase Reference)
UNSPSC Code12352200
NACRESNA.21
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302+H312+H332-H315-H319-H335
GHS precautionary statementsP280
Hazard symbolsXi
Risk statements (R)36/37/38-20/21/22
Safety statements (S)24/25-36/37/39-26
Water hazard class (WGK)WGK 3
Hazard classIRRITANTAcute Tox. 4 Oral
Customs code29183000
Storage class11 - Combustible Solids

Safety & Regulations

GHS classificationWarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 16 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Water hazard class (WGK)WGK 3
Customs code29183000
Risk statements (R)36/37/38-20/21/22
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsXi
Safety statements (S)24/25-36/37/39-26
Hazard classIRRITANTAcute Tox. 4 Oral
Storage class11 - Combustible Solids
GHS hazard statementsH302+H312+H332-H315-H319-H335
GHS precautionary statementsP280