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Ligustral · CAS 68039-49-6 · C9H14O. UNII 452GFV2AFS.
| CAS Registry Number | 68039-49-6 |
|---|---|
| PubChem CID | 93375 |
| Molecular formula | C9H14O |
| IUPAC name | 2,4-dimethylcyclohex-3-ene-1-carbaldehyde |
| UNII (FDA) | 452GFV2AFS |
| Molecular Weight | 138.21 |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 138.104465066 |
| Monoisotopic Mass | 138.104465066 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| GHS notification summary | 0.2% (4 / 2481) |
|---|
| GHS notification summary | 0.2% (4 / 2481) |
|---|---|
| Reported hazard statements | H317, H315 (99.8%), H319 (43.3%), H411 (62.7%), H412 (37%) |
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
68039-49-6; Ligustral; 2,4-Dimethylcyclohex-3-ene-1-carbaldehyde; 3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl-; TRIPLAL; 2,4-ivy carbaldehyde; 2,4-DIMETHYL-3-CYCLOHEXENE-1-CARBOXALDEHYDE; Cyclal C; TRICYCLAL; TRIPRAL; ZESTOVER; 2,4-Dimethyl-3-cyclohexene carboxaldehyde; DTXSID5044574; 452GFV2AFS; BELAL; 3-Cyclohexene-1-carboxaldehyde, 2,4(or 3,5)-dimethyl-
CAS 68039-49-6; molecular formula C9H14O; molecular weight — g/mol.
68039-49-6, Ligustral, 2,4-Dimethylcyclohex-3-ene-1-carbaldehyde, 3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl-, TRIPLAL, 2,4-ivy carbaldehyde.
0.2% of GHS notifications report no hazard classification (4 of 2481).
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.