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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 64813Generated: October 26, 2026

2-Methyl-3-(p-methoxyphenyl)propanal

CANTHOXAL · Fennaldehyde · Canthoxa · PARAXONAL · 2-Anisylpropional · Paraxonal/Canthoxal · 2-(p-Anisyl)propanal · para-anisyl propanal

https://huagongshe.com/en/chemical/64813

2-Methyl-3-(p-methoxyphenyl)propanal molecular structure

Identifiers & Physical Properties

CAS No.5462-06-6
Molecular formulaC11H14O2
Average molar mass178.23 g/mol
Monoisotopic mass178.09937969 g/mol
SMILESCOc1ccc(CC(C)C=O)cc1
InChIKeyVLFBSPUPYFTTNF-UHFFFAOYSA-N
PubChem CID64813
EC No.226-749-5
DTXSIDDTXSID6044567

Chemical & Physical Properties

XLogP2.2
Topological polar surface area26.3
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds4
Heavy atoms13
Formal charge0
Complexity148
Boiling point270.46°C (rough estimate)
Density1.0292 (rough estimate)
Vapor pressure0.3Pa at 24℃
Refractive index1.5103 (estimate)
Odorat 100.00 %. sweet aniseed basil fennel raspberry green
Odor typeanisic
Solubility1.086g/L at 24℃
Cosmetics Ingredients FunctionsPERFUMING
LogP (partition coefficient)2.3 at 25℃
FDA UNIIL7QWJ4USPC
EPA Substance Registry SystemBenzenepropanal, 4-methoxy-.alpha.-methyl- (5462-06-6)
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH315-H319-H335
GHS precautionary statementsP261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
TSCA inventory statusTSCA listed
REACH registrationsActive

Safety & Regulations

GHS classificationThis chemical does not meet GHS hazard criteria for 0.2% (3 of 1748) of reports.WarningH317 (99.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (73.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H412 (87.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1748 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 1748 reports by companies.There are 6 notifications provided by 1745 of 1748 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 informationChemical: Benzenepropanal, 4-methoxy-.alpha.-methyl-Status: Active Update: 04-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/194983-(4-Methoxyphenyl)-2-methylpropanal: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1 (99.8%)Eye Irrit. 2 (73.8%)Aquatic Chronic 3 (87.9%)
TSCA inventory statusTSCA listed
Signal wordWarning
GHS pictogramGHS07
GHS hazard statementsH315-H319-H335
REACH registrationsActive
GHS precautionary statementsP261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501