gamma-Irone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    79-68-5

    Molecular formula
    C14H22O

    SMILES
    C[C@@H]1CCC(=C)[C@@H](C1(C)C)/C=C/C(=O)C

  • Odor profile

    Woody 90.19%
    Floral 75.31%
    Violet 66.79%
    Sweet 61.38%
    Orris 58.55%
    Powdery 50.82%
    Berry 46.4%
    Dry 45.48%
    Fruity 43.41%
    Tobacco 40.62%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    279°C

    Flash point est.
    111.73 ˚C

  • Synonyms

    • GAMMA-IRONE
    • IOV6OG0LC8
    • UNII-IOV6OG0LC8
    • (+/-)-cis-gamma-Irone
    • IS4N6X2NA3
    • 79-68-5
    • gamma-Irone, cis-(+/-)-
    • (+)-(2R,6S)-cis-gamma-Irone
    • (E)-4-[(1S,3R)-2,2,3-trimethyl-6-methylidenecyclohexyl]but-3-en-2-one
    • 3-Buten-2-one, 4-((1R,3S)-2,2,3-trimethyl-6-methylenecyclohexyl)-, (3E)-rel-
    • 3-Buten-2-one, 4-((1S,3R)-2,2,3-trimethyl-6-methylenecyclohexyl)-, (3E)-
    • 3-Buten-2-one, 4-(2,2,3-trimethyl-6-methylenecyclohexyl)-, (1alpha(E),3alpha)-(+/-)-
    • 117894-47-0
    • 35124-16-4
    • UNII-1WT40UXP7H
    • EINECS 201-218-0
    • (+)-cis-gamma-Irone
    • gamma-Irone, cis-(+)-
    • UNII-IS4N6X2NA3
    • 1WT40UXP7H
    • (+)-CIS-.GAMMA.-IRONE
    • MVPDTCQYNRKWJA-UZPJXDOOSA-N
    • (+/-)-CIS-.GAMMA.-IRONE
    • .GAMMA.-IRONE, CIS-(+)-
    • .GAMMA.-IRONE, CIS-(+/-)-
    • (+)-(2R,6S)-CIS-.GAMMA.-IRONE
    • Q22077110
    • 3-Buten-2-one, 4-(2,2,3-trimethyl-6-methylenecyclohexyl)-, (1S-(1alpha(E),3alpha))-
    • 3-BUTEN-2-ONE, 4-(2,2,3-TRIMETHYL-6-METHYLENECYCLOHEXYL)-, (1.ALPHA.(E),3.ALPHA.)-(+/-)-
    • 3-BUTEN-2-ONE, 4-(2,2,3-TRIMETHYL-6-METHYLENECYCLOHEXYL)-, (1S-(1.ALPHA.(E),3.ALPHA.))-

  • Applications

    Gamma‑Irone (CAS 79‑68‑5) is a key perfumery material with a powdery iris/orris, soft‑woody, violet‑like profile, widely used in fine fragrances, cosmetics, personal care, soaps, detergents, candles, and air care to impart elegance, add creaminess and roundness, and to act as a modifier and semi‑fixative that extends, links, and softens floral, woody, and powdery accords; in flavor and tobacco applications at ultra‑low doses it can contribute subtle violet/berry or tea/tobacco nuances, and it is also employed in structure–odor research, as a GC–MS reference/marker, and in microencapsulation or controlled‑release delivery systems; thanks to its high odor potency and background‑odor masking ability, gamma‑Irone enhances consumer sensory perception across diverse product matrices, subject to compliance with applicable IFRA and regional safety guidelines.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1482.42
    methanol 1188.39
    isopropanol 1256.0
    water 0.86
    ethyl acetate 1818.81
    n-propanol 1257.59
    acetone 1684.61
    n-butanol 1132.55
    acetonitrile 1228.82
    DMF 2076.85
    toluene 1341.85
    isobutanol 814.89
    1,4-dioxane 2941.23
    methyl acetate 1263.94
    THF 4179.77
    2-butanone 1500.36
    n-pentanol 489.98
    sec-butanol 867.92
    n-hexane 99.38
    ethylene glycol 114.62
    NMP 1365.52
    cyclohexane 260.35
    DMSO 940.59
    n-butyl acetate 1082.26
    n-octanol 261.7
    chloroform 3532.05
    n-propyl acetate 647.98
    acetic acid 559.27
    dichloromethane 2820.2
    cyclohexanone 1736.26
    propylene glycol 255.01
    isopropyl acetate 1141.63
    DMAc 1213.49
    2-ethoxyethanol 567.3
    isopentanol 903.19
    n-heptane 64.56
    ethyl formate 749.0
    1,2-dichloroethane 1711.81
    n-hexanol 925.36
    2-methoxyethanol 1380.43
    isobutyl acetate 423.2
    tetrachloromethane 532.26
    n-pentyl acetate 454.27
    transcutol 3763.64
    n-heptanol 280.82
    ethylbenzene 441.49
    MIBK 776.06
    2-propoxyethanol 1342.19
    tert-butanol 1360.18
    MTBE 1508.02
    2-butoxyethanol 523.9
    propionic acid 565.54
    o-xylene 543.76
    formic acid 195.89
    diethyl ether 1677.49
    m-xylene 797.21
    p-xylene 524.06
    chlorobenzene 1299.58
    dimethyl carbonate 535.25
    n-octane 19.61
    formamide 448.37
    cyclopentanone 2199.69
    2-pentanone 1355.56
    anisole 897.86
    cyclopentyl methyl ether 1672.64
    gamma-butyrolactone 2246.88
    1-methoxy-2-propanol 1335.18
    pyridine 1805.12
    3-pentanone 909.25
    furfural 1465.15
    n-dodecane 13.45
    diethylene glycol 672.85
    diisopropyl ether 471.23
    tert-amyl alcohol 846.51
    acetylacetone 1288.52
    n-hexadecane 16.78
    acetophenone 585.78
    methyl propionate 1207.41
    isopentyl acetate 939.3
    trichloroethylene 3203.25
    n-nonanol 220.72
    cyclohexanol 909.65
    benzyl alcohol 525.29
    2-ethylhexanol 420.05
    isooctanol 222.93
    dipropyl ether 627.14
    1,2-dichlorobenzene 990.92
    ethyl lactate 253.35
    propylene carbonate 1091.02
    n-methylformamide 900.49
    2-pentanol 737.64
    n-pentane 126.79
    1-propoxy-2-propanol 970.25
    1-methoxy-2-propyl acetate 1240.84
    2-(2-methoxypropoxy) propanol 562.04
    mesitylene 421.4
    ε-caprolactone 1424.01
    p-cymene 239.95
    epichlorohydrin 2774.73
    1,1,1-trichloroethane 1827.87
    2-aminoethanol 398.21
    morpholine-4-carbaldehyde 1682.51
    sulfolane 1492.83
    2,2,4-trimethylpentane 64.33
    2-methyltetrahydrofuran 2803.47
    n-hexyl acetate 675.37
    isooctane 64.33
    2-(2-butoxyethoxy)ethanol 883.69
    sec-butyl acetate 527.55
    tert-butyl acetate 1055.91
    decalin 99.47
    glycerin 297.72
    diglyme 1570.17
    acrylic acid 403.4
    isopropyl myristate 233.4
    n-butyric acid 1053.89
    acetyl acetate 857.7
    di(2-ethylhexyl) phthalate 221.69
    ethyl propionate 638.18
    nitromethane 1221.05
    1,2-diethoxyethane 1241.09
    benzonitrile 834.43
    trioctyl phosphate 151.97
    1-bromopropane 1151.38
    gamma-valerolactone 2377.09
    n-decanol 150.86
    triethyl phosphate 236.17
    4-methyl-2-pentanol 418.97
    propionitrile 1125.98
    vinylene carbonate 1004.74
    1,1,2-trichlorotrifluoroethane 1021.12
    DMS 626.81
    cumene 256.37
    2-octanol 181.75
    2-hexanone 618.1
    octyl acetate 284.18
    limonene 342.34
    1,2-dimethoxyethane 1211.25
    ethyl orthosilicate 246.12
    tributyl phosphate 216.55
    diacetone alcohol 881.0
    N,N-dimethylaniline 494.15
    acrylonitrile 1085.21
    aniline 1206.87
    1,3-propanediol 649.84
    bromobenzene 1454.17
    dibromomethane 1841.42
    1,1,2,2-tetrachloroethane 2328.01
    2-methyl-cyclohexyl acetate 464.7
    tetrabutyl urea 246.95
    diisobutyl methanol 242.96
    2-phenylethanol 696.61
    styrene 554.83
    dioctyl adipate 329.28
    dimethyl sulfate 571.46
    ethyl butyrate 636.69
    methyl lactate 436.57
    butyl lactate 357.79
    diethyl carbonate 414.64
    propanediol butyl ether 524.39
    triethyl orthoformate 421.86
    p-tert-butyltoluene 255.4
    methyl 4-tert-butylbenzoate 500.11
    morpholine 3411.34
    tert-butylamine 984.93
    n-dodecanol 106.53
    dimethoxymethane 1586.83
    ethylene carbonate 888.89
    cyrene 428.92
    2-ethoxyethyl acetate 741.59
    2-ethylhexyl acetate 714.55
    1,2,4-trichlorobenzene 1116.02
    4-methylpyridine 2061.4
    dibutyl ether 412.77
    2,6-dimethyl-4-heptanol 242.96
    DEF 1235.28
    dimethyl isosorbide 1122.61
    tetrachloroethylene 1338.92
    eugenol 451.55
    triacetin 559.89
    span 80 471.09
    1,4-butanediol 148.59
    1,1-dichloroethane 2029.72
    2-methyl-1-pentanol 441.97
    methyl formate 659.55
    2-methyl-1-butanol 752.1
    n-decane 27.84
    butyronitrile 1190.93
    3,7-dimethyl-1-octanol 309.49
    1-chlorooctane 182.17
    1-chlorotetradecane 59.86
    n-nonane 26.39
    undecane 18.61
    tert-butylcyclohexane 90.71
    cyclooctane 77.39
    cyclopentanol 878.43
    tetrahydropyran 2979.61
    tert-amyl methyl ether 806.63
    2,5,8-trioxanonane 947.7
    1-hexene 375.8
    2-isopropoxyethanol 424.6
    2,2,2-trifluoroethanol 207.45
    methyl butyrate 739.84

    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
Tagetes (Italy) 1b 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.22%