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Basic information
- CAS
1322-58-3- Standard SMILES
CC(=O)CCCC(C)CCC=C(C)C- InChIKey
LGVYUZVANMHKHV-UHFFFAOYSA-N- Molecular formula
- C13H24O
- Average molar mass
- 196.33 g/mol
- Monoisotopic mass
- 196.18271539
Names & identifiers
- Preferred name
- Tetrahydro-pseudo-ionone
- IUPAC
- 6,10-dimethylundec-9-en-2-one
- English name
- 3,4,5,6-Tetrahydropseudoionone
- Molecular formula
- C13H24O
- Molecular weight
- 196.33
Names & synonyms
6,10-Dimethylundec-9-en-2-oneCitronellylacetone3,4,5,6-TetrahydropseudoiononeTetrahydro-pseudo-ionone6,10-Dimethyl-9-undecen-2-one9-Undecen-2-one, 6,10-dimethyl-4433-36-7FEMA No. 3059BRN 1765213EINECS 224-634-46,10-Dimethylundecen-2-oneTETRAMERAN
Show more names
FEMA 30596,10-dimethyl-9-undecen-2-on6,10-Dimethylundec-9-en-2-on3,4,5,6-TETRAHYDROPSEDOIONONE
3DAE8640XJDTXSID701100094-01-00-03529 (Beilstein Handbook Reference)TETRAHYDRO-PSEUDO-IONONE [FHFI]RefChem:897159DTXCID1065263DTXSID50280077(+-)-TETRAHYDRO-PSEUDO-IONONE
Database identifiers
- CAS
1322-58-3、4433-36-7- PubChem CID
- 102604
- DTXSID
DTXSID70110009- ChEBI
CHEBI:185517- UNII
- 3DAE8640XJ
- EC Number
- 215-340-7、224-634-4
- Nikkaji
- J40.458F
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Experimental & physicochemical properties
Density0.865-0.875
Solubility
insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
234.00 °C. @ 760.00 mm Hg
234 °C
Refractive Index1.449-1.455
Physical DescriptionPale straw yellow or colourless oily liquid; sweet floral balsamic odour with a rose to woody quality
Kovats Retention Index1329；1424
Physicochemical properties
- Boiling point
- 130 · 130-132 °C(Press: 11 Torr)
- Density
- 0.838 · 0.838±0.06 g/cm3(Predicted)
- vapor pressure
- 0.6 Pa · 0.6Pa at 20℃
- FEMA
- 3059 · 3059 | 3,4,5,6-TETRAHYDROPSEUDOIONONE
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
This chemical does not meet GHS hazard criteria for 0.4% (1 of 250) of reports.
Warning
H317 (99.2%): 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)
Aggregated GHS information provided per 250 reports by companies from 4 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 250 reports by companies.；There are 3 notifications provided by 249 of 250 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.
Hazard information
Regulatory Information
Chemical: 9-Undecen-2-one, 6,10-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 02-02-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16901
9-Undecen-2-one, 6,10-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Sens. 1B (100%)
Skin Sens. 1B (99.2%)
Regulatory information
Regulatory Information
Chemical: 9-Undecen-2-one, 6,10-dimethyl-
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular；Membrane
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Applications
Uses6,10-Dimethylundec-9-en-2-one finds some use in Rose compositions, where its peculiar oily softness lends very pleasant and natural notes, and also supPorts mildly green notes in the composition. It blends furthermore excellently with Vetiver and Labdanum, musks and Lavender products, and it can justly be classified as a very versatile perfume chemical. It is used in small amounts in berry flavors, fruit complexes, etc. at the rate of 1 to 15 ppm in the functional consumer products.
Preparation methods
PreparationBy hydrogenation of pseudo-ionone with colloidal palladium; this reaction leads to a product with considerable mixture; also from linalool plus acetic anhydride and sodium ethoxide, followed by hydrogenation; another method starts with geraniol via the acid chloride.
Suppliers6 total
湖北冠众通科技有限公司0716-7227299 13507251920 · [email protected]
武汉匠信生物科技有限公司19272768272 18007157445 · [email protected]
BOC Sciences
Related reactions
3 records
Compound notes
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