3-(3,4-Methylenedioxyphenyl)-2-methylpropanal
- IUPAC name
- 3-(1,3-benzodioxol-5-yl)-2-methylpropanal
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21 g/mol
- Exact mass
- 192.078644241 Da
- XLogP3
- 2.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 3
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEMBL:CHEMBL3183457
- EPA DTXSID:DTXSID7043908
- PubMed:17316944
- PubMed:16597551
- PubMed:15598656
Evidence from additional scientific databases
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 134-135 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 1.158-1.169 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: Liquid; CBI Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Pale yellow to yellow clear oily liquid / Floral, fresh, melon, ozone, marine aroma Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.529-1.539 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Insoluble Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: soluble (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Signal: Warning Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- GHS Hazard Statements: H317: May cause an allergic skin reaction [Warning Sensitization, Skin] Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Precautionary Statement Codes: P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement) Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H317 (42.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H411 (97.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1821 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; 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. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: NITE-CMC
- GHS Hazard Statements: H317: May cause an allergic skin reaction [Warning Sensitization, Skin]; H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]; H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]; H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: NITE-CMC
- Precautionary Statement Codes: P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
- GHS Hazard Statements: Not Classified Source: NITE-CMC
- Consumer Uses: Fragrance Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Fragrance; Flavoring and nutrient Source: EPA Chemical Data Reporting (CDR)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.