PRODUCTS

PSEUDOIONONE

Pseudoionone also plays an important role in the synthesis of carotenoid pigments, including compounds related to beta-carotene that are used in food coloring, animal nutrition, cosmetics, and dietary supplements.
In research laboratories, pseudoionone serves as a valuable model compound for studying conjugated ketone chemistry, terpene synthesis, cyclization reactions, stereochemistry, and reaction mechanisms.

CAS Number: 141-10-6
EC Number: 205-457-1
Molecular Formula: C₁₃H₂₀O
Molecular Weight: 192.30 g/mol

SYNONYMS:
ψ-Ionone, 6,10-Dimethyl-3,5,9-undecatrien-2-one, 2,6-Dimethylundeca-2,6,8-triene-10-one,3,5,9-Undecatrien-2-one, 6,10-dimethyl-,6,10-dimethylundeca-3,5,9-trien-2-one,6,10-Dimethyl-3,5,9-undecatrien-2-one (Pseudoionone),Ai3-22131,1141-10-6,PSI-IONONE,Pseudojonon,PSEUDOIONONE,Einecs 205-457-1, Pseudoionone, 141-10-6, Citrylideneacetone, 6,10-Dimethyl-3,5,9-undecatrien-2-one, Pseudoionones, psi-Ionone, 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, 6,10-Dimethylundeca-3,5,9-trien-2-one, 2,6-Dimethylundeca-2,6,8-triene-10-one, .psi.-Ionone, 6,10-Dimethyl-3,5,9-undecatriene-2-one, pseudo-ionone, EINECS 205-457-1, AI3-22131, H1KUL01Y8O, CHEBI:67207, EC 205-457-1, DTXSID7029168, PHI-IONONE, 2-PSEUDOIONONE, 2-PSEUDOJONON, .PHI.-IONONE, RefChem:870211, PSEUDOIONONE [MI], PSEUDOIONONE [FHFI], FEMA NO. 4299, DTXCID00809696, 2,6-DIMETHYLHENDECA-2,6,8-TRIEN-10-ONE, (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one, 3548-78-5, trans-.psi.-Ionone, (E,E)-Pseudoionone, trans,trans-Pseudoionone, Pseudoionone, (3E,5E)-, 3E,5E-Pseudoionone, 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,E)-, Z6K5D761AV, 8-[N-Aziridylethylamino]-2,6-dimethyloctene-2, 3,5,9-Undecatrien-2-one, 6,10-dimethyl, #2, 3,5,9-Undecatrien-2-one, 6,10-dimethyl, #3, 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (3E,5E)-, N-[2-(1-Aziridinyl)ethyl]-3,7-dimethyl-6-octen-1-amine, 38237-36-4, UNII-H1KUL01Y8O, UNII-Z6K5D761AV, Pseudoionone, Pseudo Ionone, Citrylideneacetone, MFCD00015038, laquo Psiraquo -ionone, (3E,5E)-pseudoionone, (3E,5E)-6,10-dimethyl-2-undeca-3,5,9-trienone, PseudoiononeMixture of Isomers, SCHEMBL372459, (3E,5E)-6,10-Dimethyl-3,5,9-undecatrien-2-one, (ALL-E)-.PSI.-IONONE, CHEMBL4469540, Pseudoionone, mixture of isomers, DTXSID00891713, MSK2618, SBB002147, STK523246, TN9555, AKOS005454377, ST098591, VS-08595, 2,6-Dimethyl hendeca-2,6,8-trien-10-one, CS-0320948, FEMA NO. 4299, (3E,5E)-, NS00007490, 3,5,9-Undecatrien-2-one, 6,10-dimethyl, #1, 6,10-Dimethyl-(E,E)-3,5,9-Undecatrien-2-one, (3E,5E)-6,10-dimethyl-undeca-3,5,9-trien-2-one, Q27135688, (3E,5E)-6,10-Dimethyl-3,5,9-undecatrien-2-one #, DXJ, Citrylideneacetone, 3,5,9-Undecatrien-2-one, citrylidene acetone, 2,6-dimethyl undeca-2,6,8-triene-10-one, 6,10-dimethyl undeca-3,5,9-trien-2-one, (3E,5E)-6,10-dimethyl-2-undeca-3,5,9-trienone, (3E,5E)-6,10-dimethyl-3,5,9-undecatrien-2-one, 6,10-dimethyl-3,5,9-undecatrien-2-one, 6,10-dimethyl-3,5,9-undecatriene-2-one, (3E,5E)-6,10-dimethyl-undeca-3,5,9-trien-2-one, 2,6-dimethylhendeca-2,6,8-trien-10-one, (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one, .psi.-ionone, 2-pseudo ionone, phi-ionone, psi-ionone, 3,5,9-undecatrien-2-one, 6,10-dimethyl-, (3E,5E)-, 3,5,9-undecatrien-2-one, 6,10-dimethyl-, (E,E)-, 6,10-Dimethylundeca-3,5,9-trien-2-one, 3,5,9-Undecatrien-2-one, 6,10-dimethyl, 2,6-Dimethyl-2,6,8-undecatrien-10-one, 2-Pseudoionone, PSEUDOIONONE,PSI-IONONE,5,9-Undecatrien-2-one,6,10-dimethyl-3,2 6-DIMETHYLHENDECA-2 6 8-TRIEN-10-ONE,2,6-Dimethyl-2,6,8-undecatriene-10-one,Ai3-22131,Einecs 205-457-1,Pseudoionone technical, Mixture of isoMers, >=90% (GC), Pseudoionone, Psi-Ionone, ψ-Ionone, 6,10-Dimethylundeca-3,5,9-trien-2-one, Pseudo-ionone, 3,7,11-Trimethyl-1,6,10-dodecatrien-3-one (historical naming variant)

Pseudoionone is a pale-yellow liquid.
Pseudoionone is soluble in alcohol and ether.
Pseudoionone is a terpene ketone derived from ring cleavage of the apo carotenoid beta-ionone.

Pseudoionone is an acyclic unsaturated ketone that serves as one of the most important intermediates in the fragrance, flavor, and vitamin industries.
Pseudoionone belongs to the family of terpene-derived compounds and is produced industrially by the condensation of citral with acetone.
Although pseudoionone has a mild floral-fruity odor itself, its greatest commercial importance comes from its conversion into ionones, which are prized violet-scented fragrance materials, and into vitamin A (retinol) through multi-step chemical synthesis.

Pseudoionone exists as a mixture of geometric (E/Z) isomers because of its conjugated double bonds.
Its combination of a reactive α,β-unsaturated ketone system and a flexible carbon chain makes Pseudoionone an exceptionally valuable building block for industrial organic synthesis.
Pseudoionone is a terpene ketone derived from ring cleavage of the apo carotenoid beta-ionone.

Pseudoionone has a role as a fragrance.
Pseudoionone is functionally related to a beta-ionone.
Pseudoionone has been reported in Laurus, Glycyrrhiza glabra, and other organisms with data available.

Pseudoionone has been reported in Solanum lycopersicum with data available.
Pseudoionone is an acyclic unsaturated terpene ketone that serves as one of the most important industrial intermediates in the fragrance, flavor, vitamin, and carotenoid industries.

Pseudoionone is produced primarily by the base-catalyzed condensation of citral with acetone, yielding a mixture of geometric (E/Z) isomers.
Unlike ionones, pseudoionone has an open-chain molecular structure, but it readily undergoes acid-catalyzed cyclization to produce α-ionone and β-ionone, two valuable fragrance compounds with characteristic violet-like aromas.

Pseudoionone is considered a cornerstone intermediate in the industrial synthesis of Vitamin A (retinol) and several carotenoid compounds.
Its conjugated ketone system and multiple double bonds make Pseudoionone highly versatile in organic synthesis while maintaining sufficient stability for large-scale manufacturing and transportation.

Pseudoionone belongs to the class of organic compounds known as acyclic monoterpenoids.
These are monoterpenes that do not contain a cycle.
Based on a literature review a significant number of articles have been published on Pseudoionone.
Pseudoionone is an organic compound belonging to the terpenoid family, specifically acyclic monoterpenoids.

USES and APPLICATIONS of PSEUDOIONONE:
Pseudoionone is primarily an industrial intermediate rather than a direct consumer ingredient.
Pseudoionone's largest application is the manufacture of α-ionone and β-ionone, fragrance compounds that provide violet-like floral notes in perfumes, cosmetics, soaps, shampoos, detergents, candles, and household fragrances.

Another major application is the large-scale production of Vitamin A (retinol), where pseudoionone serves as one of the essential intermediates in multi-step synthetic pathways used by pharmaceutical and nutritional manufacturers.
Pseudoionone also plays an important role in the synthesis of carotenoid pigments, including compounds related to beta-carotene that are used in food coloring, animal nutrition, cosmetics, and dietary supplements.

In research laboratories, pseudoionone serves as a valuable model compound for studying conjugated ketone chemistry, terpene synthesis, cyclization reactions, stereochemistry, and reaction mechanisms.
Pseudoionone plays a crucial role as a precursor in the synthesis of various important chemicals, including vitamin A, β-carotene, and ionones (α-ionone and β-ionone), which are widely used in the flavor, fragrance, and pharmaceutical industries.
Uses of Pseudoionone: Perfumery, cosmetics.

BENEFITS AND FUNCTIONAL CHARACTERISTICS of PSEUDOIONONE:
Pseudoionone possesses several characteristics that make it exceptionally valuable in industrial chemistry.
Pseudoionone's conjugated ketone system provides excellent synthetic flexibility, allowing numerous selective chemical transformations.
The open-chain structure enables efficient conversion into cyclic ionones with high industrial yields.

Pseudoionone exhibits good storage stability when protected from excessive oxidation, while its compatibility with numerous organic solvents simplifies manufacturing processes.
Its moderate volatility reduces handling losses during production, and its high conversion efficiency into valuable fragrance compounds and vitamins makes Pseudoionone economically significant across multiple industries.
These characteristics have established pseudoionone as one of the most important terpene intermediates used in modern chemical manufacturing.

PHYSICAL and CHEMICAL CHARACTERISTICS of PSEUDOIONONE:
Pseudoionone is an acyclic conjugated ketone containing three carbon-carbon double bonds and one carbonyl group.
The extended conjugated system contributes to both Pseudoionone's chemical reactivity and its characteristic light yellow color.
Commercial pseudoionone is usually supplied as a mixture of E and Z isomers, which exhibit similar industrial behavior and can be converted efficiently into ionones.

Its relatively low vapor pressure minimizes evaporation during storage and transportation, while its high compatibility with organic solvents makes Pseudoionone particularly suitable for industrial synthesis and fragrance manufacturing.
Because the molecule is hydrophobic, Pseudoionone has very limited water solubility but dissolves readily in non-polar and moderately polar organic solvents.

CHEMICAL CHARACTERISTICS of PSEUDOIONONE:
Pseudoionone belongs to the unsaturated aliphatic ketone family and exhibits the characteristic reactions of conjugated carbonyl compounds.
The carbonyl group participates in reduction, oxidation, aldol-type reactions, and nucleophilic additions.

The conjugated double bonds undergo hydrogenation, epoxidation, cyclization, and electrophilic addition reactions.
Pseudoionone's most commercially important transformation is acid-catalyzed cyclization, producing α-ionone and β-ionone, both of which are major fragrance ingredients.
Pseudoionone also functions as a crucial intermediate in industrial pathways leading to Vitamin A, retinoids, and certain carotenoid pigments.

INDUSTRIAL PRODUCTION of PSEUDOIONONE:
Pseudoionone is manufactured primarily through the condensation of citral with acetone under alkaline conditions.
During this process:
Citral provides the terpene backbone.
Acetone contributes the carbonyl carbon.
Base catalysts promote carbon-carbon bond formation.
The resulting product is purified before being converted into ionones or vitamin intermediates.
This manufacturing route has become the standard industrial process because Pseudoionone offers high efficiency, good selectivity, and economic scalability.

ALTERNATIVE PARENTS of PSEUDOIONONE:
*Enones
*Acryloyl compounds
*Ketones
*Organic oxides
*Hydrocarbon derivatives

SUBSTITUENTS of PSEUDOIONONE:
*Acyclic monoterpenoid
*Alpha,beta-unsaturated ketone
*Enone
*Acryloyl-group
*Ketone
*Organic oxygen compound
*Organic oxide
*Hydrocarbon derivative
*Organooxygen compound
*Carbonyl group
*Aliphatic acyclic compound

PREPARATION of PSEUDOIONONE:
Pseudoionone can be prepared from citric acid and acetone.
Pseudoionone with lower purity can be obtained by treating with lemongrass and acetone, bleaching powder, cobalt nitrate and ethanol.

FUTURE DIRECTIONS of PSEUDOIONONE:
Sustainable Synthesis:
Developing greener and more sustainable methods for pseudoionone production, including the use of biocatalysts and renewable feedstocks.

Process Intensification:
Optimizing reaction conditions in continuous-flow microreactors to enhance the efficiency and scalability of pseudoionone synthesis.

Exploration of Biological Activities:
Investigating the biological activities of pseudoionone and its derivatives beyond its role as a precursor to ionones, potentially leading to novel pharmaceutical applications.

PHYSICAL and CHEMICAL PROPERTIES of PSEUDOIONONE:
Empirical Formula (Hill Notation): C13H20O
CAS Number: 141-10-6
Molecular Weight: 192.30
UNSPSC Code: 12352100
NACRES: NA.22
PubChem Substance ID: 57652919
EC Number: 205-457-1
Beilstein/REAXYS Number: 1722925
MDL number: MFCD00015038
Assay: ≥90% (GC)

Form: liquid
CBNumber: CB0133089
Molecular Formula: C13H20O
Molecular Weight: 192.3
MDL Number: MFCD00015038
MOL File: 141-10-6.mol
Melting point: <25 °C
Boiling point: 114-116 °C2 mm Hg(lit.)
Density: 0.90 g/mL at 20 °C(lit.)
refractive index: n20/D 1.53
FEMA: 4299 | PSEUDOIONONE
FLAVIS Number: 07.198 | Pseudo-ionone
Flash point: 84℃
form: liquid

Odor: at 100.00 %. sweet waxy citrus floral balsamic dry dusty powdery spicy
Odor Type: balsamic
Water Solubility: 97mg/L at 25℃
JECFA Number: 2187
BRN: 1722925
InChI: 1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+
InChIKey: JXJIQCXXJGRKRJ-KOOBJXAQSA-N
SMILES: C\C(C)=C/CC\C(C)=C\C=C\C(C)=O
LogP: 3.69
CAS DataBase Reference: 141-10-6

Substances Added to Food (formerly EAFUS): PSEUDOIONONE
EWG's Food Scores: 1-3
FDA UNII: H1KUL01Y8O
EPA Substance Registry System: Pseudoionone (141-10-6)
UNSPSC Code: 12352100
NACRES: NA.22
CAS No.: 141-10-6
EC No.: 205-457-1
Formula: C₁₃H₂₀O
Molecular Weight: 192.30 g/mol

Boiling Point: 143–145°C at 12 mmHg (114–116°C at 2 mmHg)
Density: 0.894–0.903 g/cm³ at 25°C
Refractive Index: 1.529–1.535 (20°C)
Flash Point: 83.9°C (183°F)
Vapor Pressure: approximately 0.001 mmHg at 25°C
Water Solubility: approximately 7.85 mg/L at 25°C (practically insoluble)
Log P: approximately 3.7–3.9
Appearance: Yellow to dark yellow clear oily liquid.
Molecular Weight: 192.30 g/mol
XLogP3-AA: 3.9

Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 5
Exact Mass: 192.151415257 Da
Monoisotopic Mass: 192.151415257 Da
Topological Polar Surface Area: 17.1 Å²
Heavy Atom Count: 14
Formal Charge: 0
Complexity: 263
Isotope Atom Count: 0

Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 2
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
ECHA EINECS - REACH Pre-Reg: 205-457-1
FDA UNII: H1KUL01Y8O
Nikkaji Web: J1.191F
Beilstein Number: 1722925
MDL: MFCD00015038

CoE Number: 11191
XlogP3-AA: 3.90 (est)
Molecular Weight: 192.30160000
Formula: C13 H20 O
Appearance: yellow to dark yellow clear oily liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.89400 to 0.90300 @ 25.00 °C.
Pounds per Gallon - (est).: 7.439 to 7.514
Refractive Index: 1.52900 to 1.53500 @ 20.00 °C.
Refractive Index: 1.53346 @ 20.00 °C.

Boiling Point: 114.00 to 116.00 °C. @ 2.00 mm Hg
Boiling Point: 143.00 to 145.00 °C. @ 12.00 mm Hg
Acid Value: 8.00 max. KOH/g
Vapor Pressure: 0.001000 mmHg @ 25.00 °C. (est)
Vapor Density: 6.6 (Air = 1)
Flash Point: 183.00 °F. TCC (83.89 °C.)
logP (o/w): 3.694 (est)
Soluble in: alcohol
water, 7.854 mg/L @ 25 °C (est)
Insoluble in: water
Melting point: <25 °C

Boiling point: 114-116 °C2 mm Hg(lit.)
density: 0.90 g/mL at 20 °C(lit.)
refractive index: n20/D 1.53
FEMA: 4299 | PSEUDOIONONE
Fp: 84℃
form: liquid
Odor: at 100.00 %. sweet waxy citrus floral balsamic dry dusty powdery spicy
Odor Type: balsamic
Water Solubility: 97mg/L at 25℃
JECFA Number: 2187

BRN: 1722925
InChI: 1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+
InChIKey: JXJIQCXXJGRKRJ-KOOBJXAQSA-N
SMILES: C\C(C)=C/CC\C(C)=C\C=C\C(C)=O
LogP: 3.69
CAS DataBase Reference: 141-10-6
EPA Substance Registry System: Pseudoionone (141-10-6)
Appearance: Yellow to dark yellow clear oily liquid
Physical State: Liquid
Color: Pale yellow to yellow
Odor: Mild floral, fruity, woody, and slightly citrus-like odor
Molecular Formula: C₁₃H₂₀O

Molecular Weight: 192.30 g/mol
Melting Point: Approximately -20°C
Boiling Point: 143–145°C (12 mmHg); approximately 260°C at atmospheric pressure
Density: 0.894–0.903 g/cm³ (25°C)
Vapor Pressure: Approximately 0.001 mmHg (25°C)
Water Solubility: Approximately 7.85 mg/L (25°C)
Solubility in Organic Solvents: Miscible with ethanol, ether, acetone, benzene, toluene, and most organic solvents
Log Kow: Approximately 3.7–3.9
Flash Point: Approximately 83.9°C

Refractive Index: 1.529–1.535 (20°C)
Autoignition: Relatively high; not readily self-igniting
Stability: Stable under recommended storage conditions
Light Sensitivity: May slowly oxidize upon prolonged exposure to air and light
Oxidation: Susceptible at the conjugated double bonds
Decomposition Products: Carbon monoxide and carbon dioxide during combustion
Chemical Name: Pseudoionone
IUPAC Name: 6,10-Dimethylundeca-3,5,9-trien-2-one
Common Name: Pseudoionone
CAS Number: 141-10-6

EC Number: 205-457-1
Molecular Formula: C₁₃H₂₀O
Molecular Weight: 192.30 g/mol
Chemical Formula: C13H20O
IUPAC name: (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one
InChI Identifier: InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+
InChI Key: JXJIQCXXJGRKRJ-KOOBJXAQSA-N
Isomeric SMILES: CC(C)=CCC\C(C)=C\C=C\C(C)=O
Average Molecular Weight: 192.2973
Monoisotopic Molecular Weight: 192.151415262

FIRST AID MEASURES of PSEUDOIONONE:
-Description of first-aid measures
*General advice:
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
After inhalation:
Fresh air.
*In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with
water/ shower.
*In case of eye contact:
After eye contact:
Rinse out with plenty of water.
Call in ophthalmologist.
Remove contact lenses.
*If swallowed:
After swallowing:
Immediately make victim drink water (two glasses at most).
Consult a physician.
-Indication of any immediate medical attention and special treatment needed.
No data available

ACCIDENTAL RELEASE MEASURES of PSEUDOIONONE:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Observe possible material restrictions.
Take up dry.
Dispose of properly.
Clean up affected area.

FIRE FIGHTING MEASURES of PSEUDOIONONE:
-Extinguishing media:
*Suitable extinguishing media:
Carbon dioxide (CO2)
Foam
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.

EXPOSURE CONTROLS/PERSONAL PROTECTION of PSEUDOIONONE:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
Safety glasses
*Body Protection:
protective clothing
*Respiratory protection:
Recommended Filter type: Filter A
-Control of environmental exposure:
Do not let product enter drains.

HANDLING and STORAGE of PSEUDOIONONE:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.
Dry.

STABILITY and REACTIVITY of PSEUDOIONONE:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature).
-Possibility of hazardous reactions:
No data available

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