Nerone, trans-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    41766-71-6

    Molecular formula
    C13H22O

    SMILES
    CCC(=O)[C@H]1C[C@@H](CC=C1C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 76.43%
    Woody 67.22%
    Floral 65.0%
    Green 60.93%
    Mint 53.24%
    Fresh 52.87%
    Spicy 46.1%
    Citrus 41.21%
    Camphoreous 36.71%
    Leafy 35.45%

     

    Flavor
    Herbal 55.07%
    Minty 51.29%
    Green 37.28%
    Mint 35.66%
    Herb 34.92%
    Fresh 34.3%
    Spice 33.74%
    Woody 30.8%
    Spicy 29.64%
    Floral 29.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.15 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    250°C

    Flash point

    • 103.16 ˚C est.

  • Synonyms

    • Nerone, trans-
    • F1ELS04RTV
    • UNII-F1ELS04RTV
    • 41766-71-6
    • 1-Propanone, 1-(2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl)-, trans-
    • trans-nerone
    • SCHEMBL29620276
    • Q27277511
    • 41766-71-6

  • Applications

    Nerone, trans- (CAS 41766-71-6) is primarily used as an odorant in perfumery, commonly serving as a fragrance ingredient and, in some formulations, as a minor fixative to help longevity of scent. It is also evaluated for inclusion in cosmetics and personal care products as a fragrance component. In household products such as cleaners and air fresheners, it may contribute a characteristic aroma. In industrial manufacturing, it can function as an intermediate or raw material for synthesis of fragrance-related compounds. It may also be used in coatings or inks as a fragrance additive, adding scent to surfaces and products. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 808.17
    methanol 526.62
    isopropanol 1022.19
    water 0.65
    ethyl acetate 749.07
    n-propanol 770.33
    acetone 908.24
    n-butanol 827.32
    acetonitrile 918.51
    DMF 744.33
    toluene 766.15
    isobutanol 648.7
    1,4-dioxane 1541.26
    methyl acetate 680.13
    THF 1621.34
    2-butanone 895.7
    n-pentanol 439.34
    sec-butanol 716.78
    n-hexane 141.73
    ethylene glycol 57.21
    NMP 654.27
    cyclohexane 352.91
    DMSO 426.73
    n-butyl acetate 816.68
    n-octanol 307.61
    chloroform 2971.14
    n-propyl acetate 435.7
    acetic acid 421.4
    dichloromethane 2131.39
    cyclohexanone 1393.13
    propylene glycol 125.23
    isopropyl acetate 507.4
    DMAc 550.46
    2-ethoxyethanol 341.75
    isopentanol 715.24
    n-heptane 97.34
    ethyl formate 490.68
    1,2-dichloroethane 1115.39
    n-hexanol 724.11
    2-methoxyethanol 589.27
    isobutyl acetate 303.0
    tetrachloromethane 503.37
    n-pentyl acetate 430.37
    transcutol 1461.68
    n-heptanol 310.82
    ethylbenzene 351.59
    MIBK 417.16
    2-propoxyethanol 668.55
    tert-butanol 1001.31
    MTBE 920.72
    2-butoxyethanol 422.2
    propionic acid 384.43
    o-xylene 413.02
    formic acid 75.56
    diethyl ether 868.37
    m-xylene 457.2
    p-xylene 475.49
    chlorobenzene 892.62
    dimethyl carbonate 146.87
    n-octane 43.71
    formamide 134.41
    cyclopentanone 1186.22
    2-pentanone 721.59
    anisole 497.32
    cyclopentyl methyl ether 684.24
    gamma-butyrolactone 1001.73
    1-methoxy-2-propanol 538.39
    pyridine 1421.02
    3-pentanone 471.07
    furfural 879.92
    n-dodecane 33.26
    diethylene glycol 327.41
    diisopropyl ether 262.16
    tert-amyl alcohol 660.77
    acetylacetone 592.51
    n-hexadecane 39.65
    acetophenone 427.59
    methyl propionate 407.84
    isopentyl acetate 718.84
    trichloroethylene 2196.21
    n-nonanol 261.53
    cyclohexanol 834.39
    benzyl alcohol 405.78
    2-ethylhexanol 407.96
    isooctanol 250.09
    dipropyl ether 395.61
    1,2-dichlorobenzene 664.66
    ethyl lactate 156.83
    propylene carbonate 645.47
    n-methylformamide 299.01
    2-pentanol 555.06
    n-pentane 146.96
    1-propoxy-2-propanol 544.54
    1-methoxy-2-propyl acetate 512.65
    2-(2-methoxypropoxy) propanol 367.74
    mesitylene 283.05
    ε-caprolactone 1015.6
    p-cymene 238.88
    epichlorohydrin 1224.79
    1,1,1-trichloroethane 1426.98
    2-aminoethanol 173.0
    morpholine-4-carbaldehyde 729.13
    sulfolane 744.6
    2,2,4-trimethylpentane 72.43
    2-methyltetrahydrofuran 1379.33
    n-hexyl acetate 597.1
    isooctane 64.68
    2-(2-butoxyethoxy)ethanol 516.27
    sec-butyl acetate 329.37
    tert-butyl acetate 479.09
    decalin 121.74
    glycerin 137.61
    diglyme 885.34
    acrylic acid 275.92
    isopropyl myristate 219.15
    n-butyric acid 808.2
    acetyl acetate 424.4
    di(2-ethylhexyl) phthalate 210.68
    ethyl propionate 336.69
    nitromethane 616.03
    1,2-diethoxyethane 655.0
    benzonitrile 773.08
    trioctyl phosphate 148.66
    1-bromopropane 941.46
    gamma-valerolactone 1283.21
    n-decanol 180.28
    triethyl phosphate 173.1
    4-methyl-2-pentanol 306.94
    propionitrile 795.73
    vinylene carbonate 623.82
    1,1,2-trichlorotrifluoroethane 582.29
    DMS 350.65
    cumene 233.34
    2-octanol 233.47
    2-hexanone 493.28
    octyl acetate 267.25
    limonene 334.26
    1,2-dimethoxyethane 772.09
    ethyl orthosilicate 180.75
    tributyl phosphate 182.22
    diacetone alcohol 436.9
    N,N-dimethylaniline 302.13
    acrylonitrile 691.72
    aniline 718.03
    1,3-propanediol 351.03
    bromobenzene 979.03
    dibromomethane 1629.87
    1,1,2,2-tetrachloroethane 1686.81
    2-methyl-cyclohexyl acetate 339.82
    tetrabutyl urea 208.67
    diisobutyl methanol 237.37
    2-phenylethanol 476.99
    styrene 444.77
    dioctyl adipate 283.63
    dimethyl sulfate 194.69
    ethyl butyrate 444.87
    methyl lactate 167.49
    butyl lactate 290.21
    diethyl carbonate 288.18
    propanediol butyl ether 372.45
    triethyl orthoformate 299.03
    p-tert-butyltoluene 233.0
    methyl 4-tert-butylbenzoate 366.96
    morpholine 1660.79
    tert-butylamine 721.63
    n-dodecanol 134.5
    dimethoxymethane 422.35
    ethylene carbonate 534.81
    cyrene 302.13
    2-ethoxyethyl acetate 492.52
    2-ethylhexyl acetate 527.04
    1,2,4-trichlorobenzene 753.34
    4-methylpyridine 1450.6
    dibutyl ether 370.21
    2,6-dimethyl-4-heptanol 237.37
    DEF 568.48
    dimethyl isosorbide 582.21
    tetrachloroethylene 1043.26
    eugenol 341.44
    triacetin 411.61
    span 80 371.31
    1,4-butanediol 121.02
    1,1-dichloroethane 1520.45
    2-methyl-1-pentanol 423.16
    methyl formate 230.56
    2-methyl-1-butanol 615.9
    n-decane 61.51
    butyronitrile 1038.27
    3,7-dimethyl-1-octanol 295.72
    1-chlorooctane 239.12
    1-chlorotetradecane 91.31
    n-nonane 59.0
    undecane 42.87
    tert-butylcyclohexane 107.38
    cyclooctane 99.07
    cyclopentanol 685.99
    tetrahydropyran 1801.43
    tert-amyl methyl ether 490.11
    2,5,8-trioxanonane 531.03
    1-hexene 429.22
    2-isopropoxyethanol 282.86
    2,2,2-trifluoroethanol 130.32
    methyl butyrate 484.11

    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