• Azelis
    • Azelis UK Life Sciences
      Chemical Distribution
      Azelis is a leading global distributor of speciality chemicals.
      Azelis is a leading global speciality chemicals distributor. We provide a diverse range of products and innovative services to more than 20,000 customers. Our in-depth local knowledge is supported by an international structure and value-added services including high levels of technical support and tailored solutions.
      Email: Graham Bott
      Voice: +32 3 613 01 20
      Fax: +32 3 613 01 21
      United Kingdom+44 (0) 1992 82 55 55
      United Kingdom+44 (0) 1992 82 55 66
  • Indukern F&F
  • Lluch Essence
    • Lluch Essence S.L.
      A family company dedicated to sales and distribution
      Flexibility, availability, price and quality.
      Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world.
      Email: Info
      Voice: 34 93 379 38 49
      Fax: 34 93 370 65 04
  • Pell Wall Perfumes
    • Pell Wall Perfumes
      Hand-made fragrances
      Pell Wall maintains a broad palette of ingredients & in order to keep stocks fresh & the options wide we also sell from our own stock.
      Pell Wall was founded by perfumer Chris Bartlett to provide exclusive hand-made fragrances to a select few people who love them. All our products are created using fine quality ingredients, many of which we also offer for sale to other perfumers and enthusiasts. Pell Wall make fragrances for men, for women and for the home. If you’re looking for something even more exclusive our bespoke fragrance design service could be what you’re looking for: we design custom fragrances for individuals, other perfume brands, hotels, corporations and organisations.
      Email: Info
      Email: Sales
      Voice: +44 1630 652546
      Mobile+44 7792 580511
      Irone, alpha
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      09-10000 IRONE alpha REFINED, Kosher
      09-09500 IRONAL, Kosher
  • PerfumersWorld
    • PerfumersWorld Ltd.
      feeeel... the smell!
      The one-stop resource for the creative perfumer.
      No minimum orders. Aroma chemicals, essential oils, isolates, pheremones, absolutes, resinoids, FleuressenceTM key bases, PWx FactorTM, solubilizers, kits, creation systems, workshops, training, distance learning, The PerfumersWorld Perfumer's Studio, The Perfumer’s Formulation Bulletin, perfumery software, bespoke creation, analysis, consultancy, project counselling, trouble-shooting, unperfumed product bases, bottles, smelling strips, scales, distillation, equipment and inspiration!
      Email: Enquiries
      Email: Sales
      Voice: +66(0)2-99-800-80
      Fax: +66(0)2-99-800-80
      PerfumersWorld Skype Skype
      Software: Perfumer's Workbook
      8II00243 Irone Alpha
  • Robertet
    • Robertet, Inc.
      Customer Satisfaction
      'Zero defect' quality for all of our services.
      Robertet Group has three businesses: natural raw materials, perfume compositions and food flavourings. Its success is global, reflected in its active presence across more than 50 countries in the world's main business regions.
      US Email: Customer service
      US Email: Arnaud Adrian
      US Voice: +1.201.405.1000
      Crops calendar
      IRONE Pure & Nat
  • Ernesto Ventós
  • Vigon International
    • Vigon International, Inc.
      Passion for Simplicity
      Manufacturer and supplier of high quality flavor and fragrance ingredients.
      The growth and success of Vigon is due in large part to a unique corporate concept that Vigon has developed and established within the industry: Creative Partnerships. This partnership concept has been and continues to be the foundation and guiding principle for all of Vigon's activities.
      US Email: Sales
      US Voice: 570-476-6300
      US Fax: 570-476-1110
      Products List: View
      500422 Irone Alpha
      501006 Irone Alpha Refined
      504725 Irone Alpha Natural
Synonyms   Articles   Notes   Search
Fragrance Demo Formulas
(E)-4-(2,5,6,6-tetramethyl-1-cyclohex-2-enyl)but-3-en-2-one (Click)
CAS Number: 79-69-6
ECHA EINECS - REACH Pre-Reg: 201-219-6
Beilstein Number: 1343498
MDL: MFCD00042628
CoE Number: 145
XlogP3-AA: 3.20 (est)
Molecular Weight: 206.32854000
Formula: C14 H22 O
NMR Predictor: Predict
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
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 403  alpha-irone
Flavis Number: 07.011 (Old)
EU SANCO Food Flavourings: 07.011  4-(2,5,6,6-tetramethyl-2-cyclohexenyl)-3-buten-2-one

FEMA Number: 2597  alpha-irone
FDA Regulation:
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.93200 to 0.93400 @  25.00 °C.
Pounds per Gallon - (est).: 7.755 to  7.772
Refractive Index: 1.49900 to 1.50200 @  20.00 °C.
Boiling Point: 110.00 to  112.00 °C. @ 3.00 mm Hg
Boiling Point: 68.00 to  73.00 °C. @ 0.01 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.004000 mm/Hg @ 25.00 °C. (est)
Flash Point: > 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 4.354 (est)
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
Odor Type: floral
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 orris  floral  berry  violet  woody  powdery  
Odor Description:
at 10.00 % in dipropylene glycol. 
orris floral berry violet woody powdery
Luebke, William tgsc, (1986)
 sweet  orris  woody  raspberry  powdery  
Odor Description:
Sweet, orris, woody, raspberry and powdery
Mosciano, Gerard P&F 19, No. 5, 79, (1994)
 woody  fruity  raspberry  orris  berry  seedy  
Taste Description:
at 10.00 ppm.  
Woody, fruity, raspberry, orris and berry with seedy nuances
Mosciano, Gerard P&F 19, No. 5, 79, (1994)
Substantivity: 104 Hour(s)
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
Synonyms   Articles   Notes   Search   Top
CG Herbals
Irone Alpha
Odor: Floral, Orris, Woody
Use: Irone Alpha has a rich, floral and natural character and constitutes an important element in orris and violet compositions as well as being useful when an exotic nuance is required. Irone Alpha is extremely diffusive and gives volume and tenacity to compositions.
Ernesto Ventós
Irone Alpha
Odor: Floral, Orris, Woody
Use: Irone Alpha has a rich, floral and natural character and constitutes an important element in orris and violet compositions as well as being useful when an exotic nuance is required. Irone Alpha is extremely diffusive and gives volume and tenacity to compositions.
Indukern F&F
Lluch Essence
Pell Wall Perfumes
Irone, alpha
Penta International
IRONAL, Kosher
Penta International
IRONE alpha REFINED, Kosher
Perfumer Supply House
Odor: Orris, floral, raspberry, violet, with a powdery finish
Use: From Givaudan website: Irone Alpha has a rich, floral and natural character and constitutes an important element in orris and violet compositions as well as being useful when an exotic nuance is required. Irone Alpha is extremely diffusive and gives volume and tenacity to compositions.
Irone Alpha
Reincke & Fichtner
Pure & Nat
Crops calendar
Vigon International
Irone Alpha Natural
Vigon International
Irone Alpha Refined
Vigon International
Irone Alpha
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Safety Information:
European information :
Most important hazard(s):
None - None found.
S 23 - Do not breath vapour.
S 24 - Avoid contact with skin.
S 25 - Avoid contact with eyes.
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50  5000 mg/kg
Mosciano, Gerard P&F 19, No. 5, 79, (1994)

Dermal Toxicity:
skin-rabbit LD50 5000 mg/kg
Mosciano, Gerard P&F 19, No. 5, 79, (1994)

Inhalation Toxicity:
Not determined
Synonyms   Articles   Notes   Search   Top
Safety in Use Information:
Category: flavor and fragrance agents
IFRA Critical Effect: Sensitization
IFRA Other Specification: <= 2% Pseudomethylionone
IFRA: View Standard
maximum skin levels for fine fragrances:
  0.2900 %  and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). (IFRA, 2001)
Recommendation for alpha-irone usage levels up to:
  2.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
  0.2200 %
Dermal Systemic Exposure in Cosmetic Products:
 0.0055 mg/kg/day (IFRA, 2001)
Maximised Survey-derived Daily Intakes (MSDI-EU): 7.70 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 3.00 (μg/capita/day)
Structure Class: I
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: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: -5.40000
beverages(nonalcoholic): -1.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -1.40000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.30000
fruit ices: -2.30000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -4.10000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
Synonyms   Articles   Notes   Search   Top
Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of alicyclic substances used as flavor ingredients.View pdf
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 210: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.4 of FGE.19[1]
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 210 Revision 2 (FGE.210Rev2): Consideration of genotoxic potential for a,-unsaturated alicyclic ketones and precursors from chemical subgroup 2.4 of FGE.19
View page or View pdf
EPI System: View Calculate predicted properties
EPA Substance Registry Services (TSCA): 79-69-6
EPA ACToR: Toxicology Data
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
Chemidplus: 0000079696
RTECS: EN0335000 for cas# 79-69-6
Synonyms   Articles   Notes   Search   Top
Leffingwell: chirality
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 79-69-6
Pubchem (cid): 5371002
Pubchem (sid): 134971551
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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 Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2914.23.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 amber carbinolFR
 ambrette seed oilFL/FR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 amyl octanoateFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 angelica root oilFL/FR
 animal carbolactoneFR
para-anisyl alcoholFL/FR
para-anisyl propanalFR
 beeswax absoluteFL/FR
siam benzoin resinoidFL/FR
 benzyl alcoholFL/FR
 benzyl benzoateFL/FR
 benzyl cinnamateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 berry hexanoateFR
 bois de rose oil brazilFL/FR
 buchu mercaptanFL/FR
isobutyl benzoateFL/FR
isobutyl cinnamateFL/FR
isobutyl isovalerateFL/FR
 butyl valerateFL/FR
(S)-campholene acetateFL/FR
 daucus carota fruit oilFL/FR
 cassie absoluteFL/FR
 cassis pentanoneFL/FR
 cinnamyl alcoholFL/FR
 clary sage oil franceFL/FR
 clover nitrileFR
 coconut absoluteFL/FR
 conifer acetateFR
 coriander seed oilFL/FR
 costus root absoluteFL
 costus root oilFL
 costus root resinoidFL
 costus valerolactoneFR
black currant bud absoluteFL/FR
 cyclamen aldehydeFL/FR
2-cyclohexyl cyclohexanoneFR
 cyclohexyl ethyl acetateFL/FR
 cyclohexyl ethyl alcoholFL/FR
 decyl acetateFL/FR
 diethyl dimethyl-2-cyclohexenoneFR
 dimethyl benzyl carbinolFL/FR
 dimethyl iononeFR
 dodecanal (aldehyde C-12 lauric)FL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
 ethyl myristateFL/FR
 ethyl ortho-anisateFL/FR
 ethyl vanillinFL/FR
 ethylene brassylateFL/FR
isoeugenyl acetateFL/FR
 eugenyl formateFL/FR
isoeugenyl formateFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 formoxymethyl isolongifoleneFR
 geranium oil bourbonFL/FR
 geranyl butyrateFL/FR
 geranyl methyl tiglate 
 geranyl phenyl acetateFL/FR
 guaiacwood oilFL/FR
 hay absoluteFR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
 heptanal dimethyl acetalFL/FR
 herbal undecanoneFR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 hyacinth etherFR
beta-ionyl acetateFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 maltyl isobutyrateFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl cedryl ketoneFL/FR
 methyl cinnamateFL/FR
6-methyl coumarinFL
 methyl dihydrojasmonateFL/FR
 methyl heptanoateFL/FR
alpha-methyl iononeFL/FR
beta-isomethyl iononeFL/FR
N-methyl iononeFR
alpha-isomethyl ionone (50% min.)FL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
 methyl isoeugenolFL/FR
 methyl thiomethyl butyrateFL
 mimosa absolute franceFL/FR
 muguet carboxaldehydeFR
 myristyl alcoholFL/FR
 neroli oil bigardeFL/FR
 neryl isobutyrateFL/FR
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
 nonanal (aldehyde C-9)FL/FR
 nonisyl acetateFR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 octyl propionateFL/FR
2(1)-orris butanalFL/FR
 orris capronateFL/FR
 orris hexanoneFR
 orris pyridine 25% IPMFR
 orris rhizome resinoid (iris pallida)FL/FR
 passiflora acetateFL/FR
 patchouli ethanoneFR
black pepper oilFL/FR
 phenethyl acetateFL/FR
1-phenethyl mercaptanFL
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
3-phenyl propyl alcoholFL/FR
3-phenyl propyl isovalerateFL/FR
 propyl acetateFL/FR
para-isopropyl acetophenoneFL/FR
 propyl isobutyrateFL/FR
 prune glycidateFR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
 rose butanoateFL/FR
 sandalwood oilFL/FR
 TMH aldehydeFR
 tonka bean absoluteFR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
10-undecen-1-yl acetateFL/FR
 vanilla bean absolute (vanilla planifolia)FL/FR
 vanillyl acetateFL/FR
 vetiver oil haitiFL/FR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 woody acetateFR
(Z)-woody amyleneFR
 woody nonane (ethoxy)FR
 ylang ylang flower oilFL/FR
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 orris irisFR
Synonyms   Articles   Notes   Search   Top
Natural Occurrence in: note
 orris root
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cis-(2,6)-cis- (2(1),2(2))-alpha-irone
cis-2,6-cis-21,2 2-alpha-irone
 irone alfa
 irone alpha
 irone alpha refined
4-(2,5,6,6-tetramethyl cyclohex-2-enyl) but-3-en-2-one
cis-4-(2,5,6,6-tetramethyl cyclohex-2-enyl) but-3-en-2-one
Synonyms   Articles   Notes   Search   Top
Synonyms   Articles   Notes   Search   Top
click on the picture(s) below to
interact with the 3D model
Picture of molecule
Soluble in:
 water, 110 mg/L @ 20 °C (exp)
Insoluble in:
 alcoholic, good
 antiperspirant spray, poor
 bath foam
 non-discoloring in most media
 ph = 10 moderate
 ph = 2 poor
 powder detergent, moderate
 soap, good
 toiletry, good
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