Vertonal
Basic information
- CAS
1335-66-6- Standard SMILES
CC1=CC(C)C(C=O)C(C)C1- InChIKey
YJSUCBQWLKRPDL-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- Vertonal
- IUPAC
- 2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde
- English name
- 2,4,6-Trimethyl-3-cyclohexen-1-carboxaldehyde
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
1423-46-7Vertonal3-Cyclohexene-1-carboxaldehyde, 2,4,6-trimethyl-2,4,6-Trimethylcyclohex-3-enecarbaldehyde2,4,6-Trimethyl-3-cyclohexene-1-carboxaldehyde2,4,6-Trimethyl-3-cyclohexene-1-carbaldehyde2,4,6-Trimethyl-4-cyclohexene-1-carboxaldehyde3RP77Q40LCEINECS 215-833-7NSC 406736NSC-406736AI3-07328
Show more names
2,4,6-Trimethylcyclohex-3-encarbaldehyd2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde2,4,6-Trimethyl-3-cyclohexen-1-carboxaldehyde2,4,6-trimethyl-3-cyclohexene-1-carboxaldehyd2,4,6-TRIMETHYL-3-CYCLOHEXENE-1-CARBOXALDEHYDEE
DTXSID50526783-Cyclohexene-1-carboxaldehyde, 2,4,6-trimethyl2,4,6-TRIMETHYL-3-CYCLOHEXENYLCARBALDEHYDE2,4,6-TRIMETHYL-3-CYCLOHEXENYLCARBOXALDEHYDERefChem:901819DTXCID6024541215-833-7(1S,2S,6R)-2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde
Database identifiers
- CAS
1335-66-6、1423-46-7- PubChem CID
- 101150
- DTXSID
DTXSID5052678- ChEMBL
CHEMBL3186544- UNII
- 3RP77Q40LC
- EC Number
- 215-833-7
- Nikkaji
- J298.611F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2,4,6-Trimethylcyclohex-3-enecarbaldehyde) -> IFRA transparency List
LogP2.870
Solubility106 mg/L @ 20 °C (exp)
Boiling Point214.00 °C. @ 760.00 mm Hg
Melting Point-55.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Boiling point
- 54 °C · 54 °C(Press: 6 Torr)
- Density
- 0.9203 g/cm3 · 0.9203 g/cm3
- vapor pressure
- 83 Pa · 83Pa at 25℃
- Water Solubility
- 218 mg/L · 218mg/L at 20℃
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.1 · 3.1
- FDA UNII
- 3 RP77Q40LC · 3RP77Q40LC
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
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)
Danger
H315 (46%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 3-Cyclohexene-1-carboxaldehyde, 2,4,6-trimethyl-
REACH registered substance: 2,4,6-trimethylcyclohex-3-enecarbaldehyde (EC: 215-833-7)
Other Safety InformationIMAP assessments - 3-Cyclohexene-1-carboxaldehyde, 2,4,6-trimethyl-: Environment tier I assessment
Hazard Classes and Categories
Skin Irrit. 2 (46%)
Skin Sens. 1B
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H412-H317-H319
- REACH Registrations
- Active
- Precautionary statements
- P273-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information3-Cyclohexene-1-carboxaldehyde, 2,4,6-trimethyl-: ACTIVE
Suppliers
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Related reactions
2 records
Compound notes
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