alpha-ionene

1,2,3,4-tetrahydro-1,1,6-trimethylnaphthalene

CAS: 475-03-6 C13 H18 MW: 174.28646000

Identification

Namealpha-ionene
IUPAC4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
CAS Number475-03-6
EINECS207-490-7
FDA UNIIB2ZN1K7W3Q
Molecular FormulaC13 H18
Molecular Weight174.28646000
Nikkaji NumberJ12.387K

Regulatory

FEMA Number4264
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)475-03-6 ; ALPHA-IONENE

Physical Properties

Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.93200 to 0.93800 @ 25.00 °C.
Pounds per Gallon - (est). 7.755 to 7.805
Refractive Index 1.51900 to 1.52500 @ 20.00 °C.
Boiling Point 242.00 to 245.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.053000 mmHg @ 25.00 °C. (est)
Flash Point 208.00 °F. TCC ( 97.78 °C. )
logP (o/w) 4.960 (est)
Soluble in alcohol
Insoluble in water

No sensory data available

Safety Information

Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for alpha-ionene usage levels up to3.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.12 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)3900 (μg/person/day)
Threshold of Concern540 (μg/person/day)
Structure ClassII
baked goods-
beverages(nonalcoholic)0.50000
beverages(alcoholic)0.50000
breakfast cereal0.50000
cheese-
chewing gum0.50000
condiments / relishes-
confectionery froastings0.50000
egg products-
fats / oils-
fish products-
frozen dairy0.50000
fruit ices0.50000
gelatins / puddings0.50000
granulated sugar-
gravies-
hard candy0.50000
imitation dairy0.50000
instant coffee / tea-
jams / jellies-
meat products-
milk products0.50000
nut products-
other grains-
poultry-
processed fruits0.50000
processed vegetables-
reconstituted vegetables-
seasonings / flavors0.50000
snack foods0.50000
soft candy-
soups-
sugar substitutes-
sweet sauces0.50000
Dairy products, excluding products of category 02.0 (01.0)7.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)5.00000
Edible ices, including sherbet and sorbet (03.0)10.00000
Processed fruit (04.1)7.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)10.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)5.00000
Bakery wares (07.0)10.00000
Meat and meat products, including poultry and game (08.0)2.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)2.00000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)5.00000
Foodstuffs intended for particular nutritional uses (13.0)10.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)5.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)10.00000
Ready-to-eat savouries (15.0)20.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)5.00000

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Potential Uses

None Found

Natural Occurrence

carrot root plumcot fruit PMC witch hazel leaf oil @ 0.01% Data

Synonyms

frambilene α- ionene a- ionene naphthalene, 1,2,3,4-tetrahydro-1,1,6-trimethyl- naphthalene,1,2,3,4-tetrahydro-1,1,6-trimethyl- raspbilene 1,2,3,4- tetrahydro-1,1,6-trimethyl naphthalene 1,2,3,4- tetrahydro-1,1,6-trimethylnaphthalene 1,1,6- trimethyl tetraline 1,1,6- trimethyl-1,2,3,4-tetrahydronaphthalene 4,4,7- trimethyl-2,3-dihydro-1H-naphthalene 1,1,6- trimethyltetraline PubMed: Tuning the Hydrophobic Interaction: Ultrafast Optical Kerr Effect Study of Aqueous Ionene Solutions. PubMed: Presence of hydrophobic groups may modify the specific ion effect in aqueous polyelectrolyte solutions. PubMed: Aqueous solutions of ionenes: interactions and counterion specific effects as seen by neutron scattering. PubMed: Explicit water molecular dynamics study of the mobility of halide ions in presence of ionene oligocations. PubMed: Specific counter-ion and co-ion effects revealed in mixing of aqueous solutions of 3,3 and 6,6-ionenes with solutions of low molecular weight salts. PubMed: Isothermal titration calorimetry and molecular dynamics study of ion-selectivity in mixtures of hydrophobic polyelectrolytes with sodium halides in water. PubMed: Folding of a donor-containing ionene by intercalation with an acceptor. PubMed: Interplay of ion-specific and charge-density effects in aqueous solutions of weakly charged ionenes as revealed by electric-transport measurements. PubMed: Ionic gelators: oligomeric and polymeric electrolytes as novel gel forming materials. PubMed: Modelling fast mode dielectric relaxation of counterions in aqueous solutions of ionene bromides and fluorides. PubMed: Computer simulations of ionenes, hydrophobic ions with unusual solution thermodynamic properties. The ion-specific effects. PubMed: Explicit-water molecular dynamics study of a short-chain 3,3 ionene in solutions with sodium halides. PubMed: Determination of light-absorbing layers at inner capillary surface by cw excitation crossed-beam thermal-lens spectrometry. PubMed: Investigation of ionene adsorption on quartz surfaces by thermal-lens spectrometry. PubMed: Interaction of polyelectrolytes with proteins, 3. Influence of complexing polycations on the thermoaggregation of oligomeric enzymes. PubMed: Fusion-fission transport of probes and quenchers in microdomains of an amphiphilic ionene polyelectrolyte. PubMed: Dependency of particle sizes and colloidal stability of polyelectrolyte complex dispersions on polyanion structure and preparation mode investigated by dynamic light scattering and atomic force microscopy. PubMed: [Analysis of recombinant erythropoietin and its tryptic digest by capillary electrophoresis and capillary electrophoresis-electrospray ionization-mass spectrometry using capillary coated with 6,6-ionene]. PubMed: Ionene-dynamically coated capillary for analysis of urinary and recombinant human erythropoietin by capillary electrophoresis and online electrospray ionization mass spectrometry. PubMed: Recognition and selective binding of DNA by ionenes of different charge density. PubMed: Lyotropic and thermotropic phase transitions in films of ionene-alkyl sulfate complexes. PubMed: Polarity and motility of large polymer-actin complexes. PubMed: Beta-carotene cleavage products after oxidation mediated by hypochlorous acid--a model for neutrophil-derived degradation. PubMed: Growth of large polymer-actin complexes. PubMed: Application of water-soluble polymers as modifiers in electrophoretic analysis of phenols. PubMed: Ordered polyelectrolyte multilayers. Rules governing layering in organic binary multilayers. PubMed: Recent progress in adsorbed stationary phases for capillary electrochromatography. PubMed: Aliphatic ionenes as gene delivery agents: elucidation of structure-function relationship through modification of charge density and polymer length. PubMed: Lonene-coated sulfonated silica as a packing material in the packed-capillary mode of electrochromatography. PubMed: Covalently bound ionene polyelectrolyte-silica gel stationary phases for HPLC. PubMed: Ion-chromatographic selectivity of polyelectrolyte sorbents based on some aliphatic and aromatic ionenes. PubMed: Controllable stability of DNA-containing polyelectrolyte complexes in water-salt solutions. PubMed: Molecular dynamics in stiff ionene below glass transition. PubMed: Analytical applications and implications of intramolecular micelle-mimetic ionene aggregates. PubMed: [Interaction of the calcium salt of heparin with specific antagonists and ethacizine]. PubMed: Role of heparin in realization of the hypoglycaemic action of insulin. PubMed: [Chemiluminescence of peritoneal macrophages activated by non-natural polyelectrolytes]. PubMed: [Protamine sulfate-induced resistance to the hypoglycemic effect of insulin]. PubMed: [Quantitative determination of heparin in the blood during hemosorption]. PubMed: Effect of three bile acid binding polymers on the biosynthesis of 14C-cholesterol from 14C-sodium acetate in the rat. PubMed: [Effect of regulating blood clotting with heparin and its antagonists on mast cells]. PubMed: The bile acid binding and hypocholesterolemic action of two water-soluble polymers. PubMed: [The effect of the polymeric quaternary ammonium salt,2,5-ionene on blood coagulation]. PubMed: Effect of polyamines on the uptake of poly (2'-fluoro-2'-deoxyuridylic acid) by a mammalian cell line. PubMed: BETA-CAROTENE: THERMAL DEGRADATION. PubMed: IONENE: A THERMAL DEGRADATION PRODUCT OF BETA-CAROTENE. PubMed: THE MECHANISM OF THE IONENE SYNTHESIS.