EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

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

Supplier Sponsors

Name:4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
CAS Number: 475-03-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:207-490-7
FDA UNII:B2ZN1K7W3Q
Nikkaji Web:J12.387K
XlogP3-AA:4.50 (est)
Molecular Weight:174.28646000
Formula:C13 H18
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
No longer supported by Industry (DG SANCO, 2012).
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
FLAVIS Number:01.058 (Old)
FEMA Number:4264 alpha-ionene
FDA:No 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
 water, 1.505 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Naphthalene,1,2,3,4-tetrahydro-1,1,6-trimethyl-
BOC Sciences
For experimental / research use only.
Naphthalene,1,2,3,4-tetrahydro-1,1,6-trimethyl-
Parchem
alpha-ionene
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for alpha-ionene usage levels up to:
  3.0000 % 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 Concern:540 (μg/person/day)
Structure Class: II
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 23
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.500000.50000
beverages(alcoholic): 0.500000.50000
breakfast cereal: 0.500000.50000
cheese: --
chewing gum: 0.500000.50000
condiments / relishes: --
confectionery froastings: 0.500000.50000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.500000.50000
fruit ices: 0.500000.50000
gelatins / puddings: 0.500000.50000
granulated sugar: --
gravies: --
hard candy: 0.500000.50000
imitation dairy: 0.500000.50000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 0.500000.50000
nut products: --
other grains: --
poultry: --
processed fruits: 0.500000.50000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.500000.50000
snack foods: 0.500000.50000
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: 0.500000.50000
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 25, (FGE.25)[1] - Aliphatic and aromatic hydrocarbons from chemical group 31 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 78 (FGE.78)[1] - Consideration of Aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25 - Scientific Opinion of the Panel on Food Additives,Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 25Rev1: Aliphatic and aromatic hydrocarbons from chemical group 31
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 78, Revision 1 (FGE.78Rev1): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25Rev2
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 25, Revision 2 (FGE.25Rev2): Aliphatic and aromatic hydrocarbons from chemical group 31
View page or View pdf

Scientific opinion on Flavouring Group Evaluation 25, Revision 3 (FGE.25Rev3): Aliphatic hydrocarbons from chemical group 31
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):475-03-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :68057
National Institute of Allergy and Infectious Diseases:Data
4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
Chemidplus:0000475036
 
References:
 4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:475-03-6
Pubchem (cid):68057
Pubchem (sid):135025852
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
HMDB (The Human Metabolome Database):HMDB59826
FooDB:FDB009624
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 carrot root
Search Trop Picture
 plumcot fruit
Search PMC Picture
 witch hazel leaf oil @ 0.01%
Data GC Search Trop Picture
 
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
 

Articles:

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.
 
Notes:
None found
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