CAS 106-72-9PubChem CID 61016
(+-)-2,6-Dimethyl-5-heptenal
2,6-dimethyl-5-heptenal has been reported in Magnolia officinalis, Glycine max, and other organisms with data available. — LOTUS - the natural products occurrence database
- IUPAC name
- 2,6-dimethylhept-5-enal
- Molecular formula
- C9H16O
- Molecular weight
- 140.22 g/mol
- Exact mass
- 140.120115130 Da
- XLogP3
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 1
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
2,6-Dimethyl-5-heptenalMelonal5-HEPTENAL, 2,6-DIMETHYL-FEMA No. 23892,6-Dimethylhept-5-en-1-aldimethyl heptenalNSC-78450MELOMOR
16 more reported names
Z331YX9EL9RefChem:4457002,6-DMH203-427-2Bergamal2,6-Dimethyl-5-hepten-1-al2,6-Dimethyl-5-heptanalEINECS 203-427-2NSC 784505-Heptenal,6-dimethyl-(+/-)-2,6-Dimethyl-5-heptenalTox21_3009412,6-DIMETHYL-5-HEPTENAL [FHFI]2,6-Dimethyl-5-heptenal, technical grade, 80%2,6-Dimethyl-2-hepten-7-al2,6-Dimethyl-5-heptenal, mixture of isomers
External database identifiers
- ChEBI:CHEBI:229323
- ChEMBL:CHEMBL3184983
- EPA DTXSID:DTXSID8044753
- PubMed:37003052
- PubMed:21495722
- PubMed:19809175
Evidence from additional scientific databases
EMBL-EBI ChEBI
Exact identifier matchCHEBI:229323
5-Heptenal, 2,6-dimethyl-
- Formula
- C9H16O
- Average mass
- 140.226 g/mol
- Monoisotopic mass
- 140.12012 Da
- Formal charge
- 0
- monounsaturated fatty aldehyde — is a (CHEBI:61870)
- monounsaturated fatty aldehyde — is a (CHEBI:61870)
Additional curated names
2,6-dimethylhept-5-enal
Cross-references from this source
- CAS: 106-72-9 — ChemIDplus
- MANUAL_X_REF: 54976 — ChemSpider
- MANUAL_X_REF: D89853 — KEGG DRUG
- MANUAL_X_REF: HMDB0031834 — HMDB
- MANUAL_X_REF: LMFA06000127 — LIPID MAPS
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2024-06-07. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Exact identifier match61016
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 116-124 °C (100 mm Hg) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.845-0.854 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: CBI; Dry Powder; Liquid; Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Liquid; [Alfa Aesar MSDS] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: pale yellow liquid with a melon-like odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.442-1.448 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: soluble in ethanol; insoluble in glycerol and water Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 1 ml in 1 ml 95% alcohol; 1 ml in 2 ml 70% alcohol (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Vapor Pressure: 0.76 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Note: This chemical does not meet GHS hazard criteria for 0.3% (5 of 1898) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H226 (86.6%): Flammable liquid and vapor [Warning Flammable liquids]; H317 (11.2%): May cause an allergic skin reaction [Warning Sensitization, Skin] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P272, P280, P302+P352, P303+P361+P353, P321, P333+P317, P362+P364, P370+P378, P403+P235, 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 1898 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 5 of 1898 reports by companies.; There are 11 notifications provided by 1893 of 1898 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. Source: European Chemicals Agency (ECHA)
- Consumer Uses: Fragrance; Other Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Other; Fragrance Source: EPA Chemical Data Reporting (CDR)
- Sources/Uses: Used as flavoring agent or adjuvant; [FDA] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
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 |
|---|---|---|
| EMBL-EBI ChEBI | Exact match | 2026-08-31 |
| 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.