4,7,7-Trimethyl-2-(3-methyl-2-buten-1-yl)bicyclo(4.1.0)heptan-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    74499-58-4

    Molecular formula
    C15H24O

    SMILES
    CC1C[C@@H]2[C@@H](C2(C)C)C(C1=O)CC=C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 69.11%
    Herbal 53.9%
    Spicy 43.08%
    Fresh 41.65%
    Mint 37.02%
    Citrus 35.64%
    Fruity 33.22%
    Dry 31.43%
    Amber 29.28%
    Camphoreous 29.16%

     

    Flavor
    Herbal 47.92%
    Woody 44.21%
    Bitter 32.36%
    Minty 32.06%
    Herb 31.65%
    Fresh 31.42%
    Wood 28.02%
    Spicy 27.7%
    Green 27.32%
    Balsam 26.26%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    9.39 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    297°C

    Flash point

    • 103.97 ˚C est.

  • Synonyms

    • RVU21J753H
    • UNII-RVU21J753H
    • PRECARONE
    • EINECS 277-895-1
    • 4,7,7-Trimethyl-2-(3-methyl-2-buten-1-yl)bicyclo(4.1.0)heptan-3-one
    • 3,7,7-Trimethyl-5-(3-methyl-2-butenyl)bicyclo(4.1.0)heptan-4-one
    • Bicyclo(4.1.0)heptan-3-one, 4,7,7-trimethyl-2-(3-methyl-2-butenyl)-
    • Bicyclo(4.1.0)heptan-3-one, 4,7,7-trimethyl-2-(3-methyl-2-buten-1-yl)-
    • DTXSID70868311
    • 4,7,7-Trimethyl-2-(3-methyl-2-buten-1-yl)bicyclo[4.1.0]heptan-3-one
    • Bicyclo[4.1.0]heptan-3-one, 4,7,7-trimethyl-2-(3-methyl-2-buten-1-yl)-
    • RefChem:96709
    • DTXCID30816434
    • 277-895-1
    • 74499-58-4
    • 4,7,7-Trimethyl-2-(3-methyl-2-butenyl)bicyclo(4.1.0)heptan-3-one
    • Q27288308
    • 74499-58-4

  • Applications

    4,7,7-Trimethyl-2-(3-methyl-2-buten-1-yl)bicyclo(4.1.0)heptan-3-one (CAS 74499-58-4) is used primarily as a fragrance ingredient and odorant in perfumery and cosmetics; it may be employed as a fragrance component or odorant within fragrance formulations and personal care products. It may function as a fixative to extend fragrance longevity in formulations. In industrial manufacturing, the compound may act as an intermediate in the synthesis of specialty chemicals or refined aroma compounds. It may also be considered for aroma applications in household products such as air fresheners and cleaners, where its odor properties contribute to consumer perception.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 646.67
    methanol 423.52
    isopropanol 650.81
    water 1.36
    ethyl acetate 876.71
    n-propanol 550.19
    acetone 776.78
    n-butanol 616.29
    acetonitrile 467.34
    DMF 623.86
    toluene 639.76
    isobutanol 470.94
    1,4-dioxane 1320.35
    methyl acetate 648.55
    THF 1393.48
    2-butanone 675.91
    n-pentanol 328.66
    sec-butanol 433.67
    n-hexane 94.68
    ethylene glycol 94.6
    NMP 351.04
    cyclohexane 168.27
    DMSO 236.99
    n-butyl acetate 625.98
    n-octanol 180.58
    chloroform 1461.04
    n-propyl acetate 443.37
    acetic acid 466.55
    dichloromethane 947.33
    cyclohexanone 745.31
    propylene glycol 157.13
    isopropyl acetate 777.76
    DMAc 607.18
    2-ethoxyethanol 507.48
    isopentanol 648.45
    n-heptane 49.96
    ethyl formate 362.83
    1,2-dichloroethane 743.88
    n-hexanol 505.24
    2-methoxyethanol 780.37
    isobutyl acetate 395.41
    tetrachloromethane 296.54
    n-pentyl acetate 347.7
    transcutol 1634.37
    n-heptanol 226.14
    ethylbenzene 334.49
    MIBK 593.11
    2-propoxyethanol 866.33
    tert-butanol 646.28
    MTBE 925.82
    2-butoxyethanol 473.07
    propionic acid 311.26
    o-xylene 364.08
    formic acid 136.48
    diethyl ether 900.68
    m-xylene 464.93
    p-xylene 425.55
    chlorobenzene 567.11
    dimethyl carbonate 281.08
    n-octane 24.66
    formamide 206.37
    cyclopentanone 687.44
    2-pentanone 695.13
    anisole 563.13
    cyclopentyl methyl ether 660.98
    gamma-butyrolactone 614.83
    1-methoxy-2-propanol 707.12
    pyridine 866.13
    3-pentanone 493.02
    furfural 612.74
    n-dodecane 17.86
    diethylene glycol 526.37
    diisopropyl ether 416.51
    tert-amyl alcohol 472.22
    acetylacetone 778.24
    n-hexadecane 21.33
    acetophenone 413.17
    methyl propionate 525.1
    isopentyl acetate 671.02
    trichloroethylene 1335.67
    n-nonanol 176.94
    cyclohexanol 429.56
    benzyl alcohol 352.16
    2-ethylhexanol 268.56
    isooctanol 197.91
    dipropyl ether 337.37
    1,2-dichlorobenzene 475.53
    ethyl lactate 191.86
    propylene carbonate 448.4
    n-methylformamide 314.69
    2-pentanol 467.47
    n-pentane 109.85
    1-propoxy-2-propanol 515.72
    1-methoxy-2-propyl acetate 720.56
    2-(2-methoxypropoxy) propanol 393.56
    mesitylene 307.73
    ε-caprolactone 677.09
    p-cymene 178.67
    epichlorohydrin 1001.89
    1,1,1-trichloroethane 854.29
    2-aminoethanol 233.28
    morpholine-4-carbaldehyde 697.36
    sulfolane 378.0
    2,2,4-trimethylpentane 65.7
    2-methyltetrahydrofuran 936.69
    n-hexyl acetate 455.78
    isooctane 69.41
    2-(2-butoxyethoxy)ethanol 542.51
    sec-butyl acetate 443.34
    tert-butyl acetate 755.81
    decalin 91.08
    glycerin 196.74
    diglyme 1009.17
    acrylic acid 255.68
    isopropyl myristate 188.09
    n-butyric acid 598.65
    acetyl acetate 597.74
    di(2-ethylhexyl) phthalate 169.09
    ethyl propionate 440.29
    nitromethane 598.93
    1,2-diethoxyethane 682.81
    benzonitrile 445.57
    trioctyl phosphate 111.11
    1-bromopropane 549.77
    gamma-valerolactone 1030.06
    n-decanol 125.0
    triethyl phosphate 170.31
    4-methyl-2-pentanol 384.71
    propionitrile 450.53
    vinylene carbonate 445.88
    1,1,2-trichlorotrifluoroethane 587.45
    DMS 464.14
    cumene 234.25
    2-octanol 150.28
    2-hexanone 417.5
    octyl acetate 209.39
    limonene 206.29
    1,2-dimethoxyethane 923.9
    ethyl orthosilicate 184.79
    tributyl phosphate 141.45
    diacetone alcohol 547.32
    N,N-dimethylaniline 327.61
    acrylonitrile 450.5
    aniline 505.26
    1,3-propanediol 464.16
    bromobenzene 603.15
    dibromomethane 698.0
    1,1,2,2-tetrachloroethane 1024.08
    2-methyl-cyclohexyl acetate 301.27
    tetrabutyl urea 151.2
    diisobutyl methanol 199.9
    2-phenylethanol 433.63
    styrene 375.28
    dioctyl adipate 213.3
    dimethyl sulfate 247.21
    ethyl butyrate 377.16
    methyl lactate 242.63
    butyl lactate 252.35
    diethyl carbonate 266.07
    propanediol butyl ether 327.06
    triethyl orthoformate 287.77
    p-tert-butyltoluene 180.64
    methyl 4-tert-butylbenzoate 337.49
    morpholine 1208.81
    tert-butylamine 468.68
    n-dodecanol 92.57
    dimethoxymethane 732.11
    ethylene carbonate 421.41
    cyrene 255.61
    2-ethoxyethyl acetate 584.86
    2-ethylhexyl acetate 504.9
    1,2,4-trichlorobenzene 542.11
    4-methylpyridine 917.97
    dibutyl ether 283.49
    2,6-dimethyl-4-heptanol 199.9
    DEF 561.81
    dimethyl isosorbide 514.94
    tetrachloroethylene 725.75
    eugenol 303.58
    triacetin 404.93
    span 80 284.87
    1,4-butanediol 152.12
    1,1-dichloroethane 896.75
    2-methyl-1-pentanol 355.92
    methyl formate 243.86
    2-methyl-1-butanol 487.37
    n-decane 33.2
    butyronitrile 506.47
    3,7-dimethyl-1-octanol 229.78
    1-chlorooctane 137.52
    1-chlorotetradecane 54.99
    n-nonane 30.41
    undecane 23.23
    tert-butylcyclohexane 90.18
    cyclooctane 70.17
    cyclopentanol 342.23
    tetrahydropyran 1125.14
    tert-amyl methyl ether 559.66
    2,5,8-trioxanonane 537.52
    1-hexene 265.09
    2-isopropoxyethanol 418.4
    2,2,2-trifluoroethanol 208.5
    methyl butyrate 486.39

    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