alpha-IONONE

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    127-41-3

    Molecular formula
    C13H20O

    SMILES
    CC1=CCCC(C1/C=C/C(=O)C)(C)C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1431.5
    • Carbowax: 1831.6

  • Odor profile

    Floral 91.32%
    Woody 89.38%
    Sweet 83.23%
    Violet 74.03%
    Fruity 72.94%
    Berry 66.62%
    Powdery 63.6%
    Orris 62.49%
    Raspberry 49.14%
    Tropical 45.59%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 258 °C at 760 mm Hg
    • Pale yellow to yellow liquid; Specific gravity: 0.933-0.937 25/25 °C; Boiling point: 126-128 °C at 12 mm Hg /mixed ionone isomers/

    Flash point est.
    114.24 ˚C

    Flash point expt.

    • 118 °C (244 °F) - closed cup

    Solubility expt.

    • In water, 106 mg/L at 25 °C
    • Soluble in alcohol, most fixed oils, propylene glycol; insoluble in glycerin
    • Miscible with absolute alcohol. Soluble in 2 to 3 parts of 70% alcohol, ether, chloroform, benzene. Very slightly soluble in water. /mixed ionone isomers/
    • soluble in alcohol, propylene glycol, most fixed oils; insoluble in glycerol and water
    • 1 ml in 3 ml 70% alcohol; 1 ml in 10 ml 60% alcohol (in ethanol)

  • Synonyms

    • ALPHA-IONONE
    • 127-41-3
    • (E)-alpha-Ionone
    • Iraldeine
    • a-ionone
    • 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-
    • (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
    • 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
    • alpha-Ionon
    • Ionone, alpha-
    • trans-alpha-Ionone
    • alpha-(E)-ionone
    • Irisone
    • alpha-Ionone (natural)
    • FEMA No. 2594
    • alpha-Cyclocitrylideneacetone
    • Cyclocitrylideneacetone, alpha-
    • (+-)-trans-alpha-Ionone
    • (3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
    • EINECS 204-841-6
    • EINECS 250-293-6
    • UNII-I9V075M61R
    • 6901-97-9
    • DTXSID0035160
    • CHEBI:32319
    • 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-
    • I9V075M61R
    • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
    • a-Ionone (>90%)
    • EINECS 230-010-2
    • MFCD00001565
    • NSC 34560
    • (5E)-IONONE
    • .alpha.-Cyclocitrylideneacetone
    • AI3-16056
    • DTXCID8015160
    • HSDB 8268
    • (E)-(1)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
    • NSC34560
    • 31798-12-6
    • beta-lonone
    • (E)-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE
    • beta-lonone (natural)
    • alpha-Jonone
    • alpha -ionone
    • EINECS 232-396-8
    • EINECS 238-362-9
    • EINECS 250-812-6
    • IONONE, ALPHA
    • alpha-Ionone, >=90%
    • UNII-QP734LIN1K
    • (+/-)-alpha-IONONE
    • ALPHA-IONONE [FCC]
    • QP734LIN1K
    • (E)-.ALPHA.-IONONE
    • alpha-Ionone (>90per cent)
    • SCHEMBL112670
    • .ALPHA.-IONONE [MI]
    • CHEMBL472877
    • .ALPHA.-IONONE [FHFI]
    • alpha-Ionone, natural, >=86%
    • alpha-Ionone, analytical standard
    • (+/-)-.ALPHA.-IONONE
    • (-)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
    • HY-N8847
    • Tox21_301173
    • alpha-Ionone, technical grade, 90%
    • NSC-34560
    • STL570068
    • AKOS000120391
    • AKOS016843502
    • (+/-)-TRANS-.ALPHA.-IONONE
    • DS-3418
    • FI24634
    • alpha-Ionone, technical, >=90% (GC)
    • NCGC00164008-01
    • NCGC00164008-02
    • NCGC00255071-01
    • CAS-127-41-3
    • CS-0149165
    • I0076
    • NS00012649
    • EN300-20383
    • 4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one
    • Q27114869
    • (3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-on
    • 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-(.+/-.)-
    • (3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)3-buten-2-one;(5E)-Ionone;(E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
    • 204-841-6

  • Applications

    Widely valued for its soft violet-berry-woody scent, α-Ionone (CAS 127-41-3) functions as a key fragrance ingredient in fine perfumes, soaps, detergents and personal-care products; in the food industry it flavors candies, beverages, yogurts, baked goods and plant-based meats to recreate ripe fruit nuances; in tobacco, e-liquids and shisha blends it provides a smooth, sweet aftertaste that tempers harsh smoke notes; it serves as a middle-note fixative in essential-oil compositions and scented candles, extending the bouquet’s longevity; chemically, it is an important intermediate for synthesising vitamin A, carotenoids and other terpenoid derivatives used in pharmaceuticals, nutrient-enriched animal feed and aquaculture additives; finally, its distinctive, stable and safe odor profile makes α-Ionone a reference compound in olfactory sensor research and electronic-nose technology.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 433.87
    methanol 459.55
    isopropanol 277.65
    water 0.49
    ethyl acetate 509.09
    n-propanol 332.76
    acetone 476.9
    n-butanol 323.16
    acetonitrile 375.62
    DMF 559.06
    toluene 415.56
    isobutanol 218.57
    1,4-dioxane 1087.12
    methyl acetate 420.61
    THF 1415.82
    2-butanone 430.72
    n-pentanol 161.18
    sec-butanol 211.12
    n-hexane 49.49
    ethylene glycol 41.87
    NMP 576.84
    cyclohexane 123.55
    DMSO 284.18
    n-butyl acetate 449.42
    n-octanol 140.3
    chloroform 1112.28
    n-propyl acetate 235.67
    acetic acid 220.02
    dichloromethane 943.62
    cyclohexanone 631.24
    propylene glycol 85.03
    isopropyl acetate 301.17
    DMAc 409.17
    2-ethoxyethanol 194.56
    isopentanol 249.98
    n-heptane 48.95
    ethyl formate 266.71
    1,2-dichloroethane 516.28
    n-hexanol 394.29
    2-methoxyethanol 437.26
    isobutyl acetate 176.21
    tetrachloromethane 156.82
    n-pentyl acetate 205.0
    transcutol 1381.58
    n-heptanol 135.01
    ethylbenzene 161.25
    MIBK 233.74
    2-propoxyethanol 521.92
    tert-butanol 315.27
    MTBE 363.55
    2-butoxyethanol 233.01
    propionic acid 193.62
    o-xylene 191.9
    formic acid 75.45
    diethyl ether 524.85
    m-xylene 262.18
    p-xylene 188.04
    chlorobenzene 427.55
    dimethyl carbonate 155.99
    n-octane 15.15
    formamide 128.3
    cyclopentanone 749.59
    2-pentanone 404.77
    anisole 319.77
    cyclopentyl methyl ether 585.59
    gamma-butyrolactone 744.35
    1-methoxy-2-propanol 351.19
    pyridine 599.13
    3-pentanone 287.85
    furfural 566.83
    n-dodecane 13.03
    diethylene glycol 266.47
    diisopropyl ether 141.12
    tert-amyl alcohol 223.57
    acetylacetone 389.25
    n-hexadecane 15.48
    acetophenone 240.65
    methyl propionate 369.98
    isopentyl acetate 371.37
    trichloroethylene 961.29
    n-nonanol 122.54
    cyclohexanol 303.64
    benzyl alcohol 197.27
    2-ethylhexanol 204.29
    isooctanol 104.71
    dipropyl ether 287.7
    1,2-dichlorobenzene 356.26
    ethyl lactate 104.37
    propylene carbonate 433.05
    n-methylformamide 240.99
    2-pentanol 184.17
    n-pentane 54.64
    1-propoxy-2-propanol 365.47
    1-methoxy-2-propyl acetate 458.17
    2-(2-methoxypropoxy) propanol 267.65
    mesitylene 158.05
    ε-caprolactone 555.63
    p-cymene 128.18
    epichlorohydrin 868.63
    1,1,1-trichloroethane 511.25
    2-aminoethanol 121.04
    morpholine-4-carbaldehyde 655.37
    sulfolane 547.36
    2,2,4-trimethylpentane 28.27
    2-methyltetrahydrofuran 956.55
    n-hexyl acetate 331.99
    isooctane 26.71
    2-(2-butoxyethoxy)ethanol 380.74
    sec-butyl acetate 181.87
    tert-butyl acetate 316.7
    decalin 50.24
    glycerin 101.79
    diglyme 641.27
    acrylic acid 147.58
    isopropyl myristate 125.98
    n-butyric acid 331.66
    acetyl acetate 280.98
    di(2-ethylhexyl) phthalate 132.96
    ethyl propionate 216.56
    nitromethane 394.18
    1,2-diethoxyethane 481.03
    benzonitrile 326.17
    trioctyl phosphate 90.69
    1-bromopropane 371.6
    gamma-valerolactone 876.78
    n-decanol 89.54
    triethyl phosphate 124.58
    4-methyl-2-pentanol 121.29
    propionitrile 337.56
    vinylene carbonate 403.64
    1,1,2-trichlorotrifluoroethane 370.03
    DMS 267.14
    cumene 106.95
    2-octanol 86.25
    2-hexanone 233.3
    octyl acetate 161.08
    limonene 183.49
    1,2-dimethoxyethane 459.97
    ethyl orthosilicate 126.48
    tributyl phosphate 119.2
    diacetone alcohol 277.77
    N,N-dimethylaniline 192.71
    acrylonitrile 323.27
    aniline 357.82
    1,3-propanediol 198.78
    bromobenzene 478.08
    dibromomethane 618.49
    1,1,2,2-tetrachloroethane 686.01
    2-methyl-cyclohexyl acetate 235.47
    tetrabutyl urea 135.22
    diisobutyl methanol 113.81
    2-phenylethanol 297.31
    styrene 198.5
    dioctyl adipate 181.03
    dimethyl sulfate 174.22
    ethyl butyrate 277.37
    methyl lactate 134.48
    butyl lactate 159.92
    diethyl carbonate 187.27
    propanediol butyl ether 218.05
    triethyl orthoformate 192.53
    p-tert-butyltoluene 128.14
    methyl 4-tert-butylbenzoate 225.03
    morpholine 1135.6
    tert-butylamine 236.99
    n-dodecanol 67.04
    dimethoxymethane 495.99
    ethylene carbonate 336.33
    cyrene 211.56
    2-ethoxyethyl acetate 309.13
    2-ethylhexyl acetate 312.18
    1,2,4-trichlorobenzene 405.62
    4-methylpyridine 653.18
    dibutyl ether 205.95
    2,6-dimethyl-4-heptanol 113.81
    DEF 379.33
    dimethyl isosorbide 538.89
    tetrachloroethylene 415.41
    eugenol 201.02
    triacetin 289.38
    span 80 244.89
    1,4-butanediol 53.54
    1,1-dichloroethane 531.09
    2-methyl-1-pentanol 153.72
    methyl formate 199.48
    2-methyl-1-butanol 221.28
    n-decane 23.55
    butyronitrile 388.6
    3,7-dimethyl-1-octanol 150.7
    1-chlorooctane 107.16
    1-chlorotetradecane 41.99
    n-nonane 22.35
    undecane 16.95
    tert-butylcyclohexane 44.96
    cyclooctane 42.04
    cyclopentanol 283.16
    tetrahydropyran 1024.6
    tert-amyl methyl ether 244.46
    2,5,8-trioxanonane 431.96
    1-hexene 158.68
    2-isopropoxyethanol 158.42
    2,2,2-trifluoroethanol 72.69
    methyl butyrate 259.67

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.34%
Celery seed (China) 1 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.05%
Linden blossom bract Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 0.15%
Michelia champaca flower absolute Michelia champaca L., fam. Magnoliaceae 1.6%
Osmanthus absolute 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.6%
Osmanthus concrete 1 (China) 68917-05-5 Osmanthus fragrans, variety Thunbergii (Mak.), fam. Oleaceae 2.2%
Osmanthus concrete 2 (China) 68917-05-5 Osmanthus fragrans, variety Latifolius Mak., fam. Oleaceae 6.5%
Osmanthus concrete 3 (China) 68917-05-5 Osmanthus fragrans, variety Aurantiacus (Mak.), fam. Oleaceae 1.3%
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.22%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.86%
Rose (Egypt) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 1.0%
Celery seed (India) 3 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.05%
Osmanthus headspace (flowers) (China) 1 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. auranticus Makino, fam. Oleaceae 3.01%
Osmanthus headspace (flowers) (China) 2 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. thunbergii Makino, fam. Oleaceae 2.5%
Osmanthus headspace (flowers) (China) 3 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. latifolius Makino, fam. Oleaceae 2.3%
Vassoura (Brazil) 2 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.01%
Michelia champaca flower headspace (China) Michelia champaca L., fam. Magnoliaceae 0.2%
Costus 8023-88-9 Saussurea lappa Clarke, fam. Zingiberaceae 5.0%
Passion fruit (China) 1 Passiflora edulis Sims, fam. Passifloraceae 1.33%
Violet odorata flower headspace Viola odorata L., fam. Violaceae 3.3%
Lawsonia inermis flower 1a Lawsonia inermis L. (syn. L. alba Lam.), fam. Lythraceae 0.1%
Lawsonia inermis flower 1b Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae 0.1%
Basil (Denmark) Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Thyme (Denmark) 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.01%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.05%
Ambarella fruit Spondias cytherea Sonnerat (Ambarella), fam. Anacardiaceae 0.01%
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 0.42%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.13%
Tulip sylvestre (headspace) Tulipa sylvestris L., fam. Liliaceae 0.13%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.1%
Abies alba needle (Serbia) 8021-27-0 Abies alba Mill., fam. Pinaceae 0.4%
Abies cephalonica needle (Greece) Abies cephalonica Loud., fam. Pinaceae 0.1%
Abies borisii-regis needle (Greece) Abies borisii-regis Mattf., fam. Pinaceae 0.2%
Acacia caven flower Acacia caven (Mol.) Mol., fam. Mimosaceae (Leguminosae) 0.9%
Afrocarpus mannii 1a leaf Afrocarpus mannii Hook f., fam. Podocarpaceae 0.7%
Catharanthus roseus marcs Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.1%
Leea guineensis (Cameroon) 1a wood Leea guineensis G. Don, fam. Leeaceae 0.7%
Leea guineensis (Cameroon) 1b leaf Leea guineensis G. Don, fam. Leeaceae 4.2%