4,4,8-Trimethyl-5,7-decadien-2-one

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  • Identifiers

    CAS number
    67801-41-6

    Molecular formula
    C13H22O

    SMILES
    CCC(=CC=CC(C)(C)CC(=O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 70.32%
    Citrus 62.14%
    Woody 62.01%
    Fruity 57.79%
    Herbal 53.45%
    Sweet 51.46%
    Fresh 45.96%
    Tropical 43.75%
    Rose 42.04%
    Lemon 41.5%

     

    Flavor
    Floral 59.99%
    Green 55.85%
    Citrus 50.46%
    Woody 45.77%
    Lavender 37.67%
    Bergamot 36.84%
    Sweet 35.38%
    Fruity 35.24%
    Herbal 32.65%
    Rose 31.94%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.95 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 106.34 ˚C est.

  • Synonyms

    • 67801-41-6
    • 5,7-Decadien-2-one, 4,4,8-trimethyl-
    • 4,4,8-Trimethyl-5,7-decadien-2-one
    • DTXSID1052373
    • EINECS 267-161-9
    • RefChem:507192
    • DTXCID1030945
    • 267-161-9
    • 4,4,8-trimethyldeca-5,7-dien-2-one
    • VPZYONTUNFBDMF-UHFFFAOYSA-N
    • TRIMETHYL-5,7-DECADIEN-2-ONE
    • NS00013284
    • 67801-41-6

  • Applications

    4,4,8-Trimethyl-5,7-decadien-2-one (CAS 67801-41-6) is used in fragrance chemistry as an odorant and intermediate; in perfumery it may serve as an aroma component and can act as a fixative to help stabilize volatile notes. It is commonly evaluated for use in cosmetics and personal care formulations as a fragrance ingredient and may also appear in household products as a scent additive. In industrial manufacturing it can be employed as a chemical building block or intermediate in the synthesis of specialty polymers, coatings, and inks where a defined odor profile or reactive functionality is desired. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1167.5
    methanol 1238.44
    isopropanol 985.06
    water 1.11
    ethyl acetate 676.19
    n-propanol 895.44
    acetone 595.21
    n-butanol 1037.25
    acetonitrile 455.12
    DMF 687.36
    toluene 520.37
    isobutanol 729.9
    1,4-dioxane 1475.26
    methyl acetate 528.07
    THF 1636.1
    2-butanone 612.88
    n-pentanol 734.81
    sec-butanol 911.59
    n-hexane 743.85
    ethylene glycol 118.48
    NMP 710.37
    cyclohexane 689.16
    DMSO 347.41
    n-butyl acetate 777.37
    n-octanol 579.3
    chloroform 1553.68
    n-propyl acetate 448.2
    acetic acid 544.29
    dichloromethane 897.37
    cyclohexanone 1006.27
    propylene glycol 311.38
    isopropyl acetate 530.73
    DMAc 777.59
    2-ethoxyethanol 551.99
    isopentanol 922.71
    n-heptane 442.97
    ethyl formate 359.92
    1,2-dichloroethane 557.33
    n-hexanol 1469.91
    2-methoxyethanol 899.47
    isobutyl acetate 374.93
    tetrachloromethane 321.55
    n-pentyl acetate 416.75
    transcutol 2037.75
    n-heptanol 537.44
    ethylbenzene 352.51
    MIBK 467.04
    2-propoxyethanol 1219.82
    tert-butanol 1334.17
    MTBE 1248.79
    2-butoxyethanol 605.46
    propionic acid 451.89
    o-xylene 354.93
    formic acid 165.08
    diethyl ether 1058.23
    m-xylene 420.65
    p-xylene 427.84
    chlorobenzene 459.98
    dimethyl carbonate 163.87
    n-octane 132.74
    formamide 143.94
    cyclopentanone 709.32
    2-pentanone 613.43
    anisole 458.24
    cyclopentyl methyl ether 1005.51
    gamma-butyrolactone 647.61
    1-methoxy-2-propanol 841.77
    pyridine 687.69
    3-pentanone 455.72
    furfural 566.97
    n-dodecane 82.33
    diethylene glycol 558.31
    diisopropyl ether 464.25
    tert-amyl alcohol 1183.17
    acetylacetone 456.89
    n-hexadecane 91.31
    acetophenone 357.05
    methyl propionate 439.17
    isopentyl acetate 730.36
    trichloroethylene 981.56
    n-nonanol 487.24
    cyclohexanol 1045.03
    benzyl alcohol 370.26
    2-ethylhexanol 808.96
    isooctanol 398.42
    dipropyl ether 777.93
    1,2-dichlorobenzene 395.29
    ethyl lactate 243.43
    propylene carbonate 508.66
    n-methylformamide 292.43
    2-pentanol 852.82
    n-pentane 494.68
    1-propoxy-2-propanol 1012.81
    1-methoxy-2-propyl acetate 663.14
    2-(2-methoxypropoxy) propanol 574.69
    mesitylene 297.48
    ε-caprolactone 866.17
    p-cymene 271.52
    epichlorohydrin 780.36
    1,1,1-trichloroethane 823.58
    2-aminoethanol 355.74
    morpholine-4-carbaldehyde 893.19
    sulfolane 573.06
    2,2,4-trimethylpentane 211.46
    2-methyltetrahydrofuran 1381.31
    n-hexyl acetate 767.96
    isooctane 176.4
    2-(2-butoxyethoxy)ethanol 823.49
    sec-butyl acetate 397.49
    tert-butyl acetate 627.5
    decalin 291.84
    glycerin 308.92
    diglyme 1118.78
    acrylic acid 282.55
    isopropyl myristate 301.81
    n-butyric acid 790.43
    acetyl acetate 375.43
    di(2-ethylhexyl) phthalate 265.95
    ethyl propionate 377.76
    nitromethane 466.51
    1,2-diethoxyethane 804.74
    benzonitrile 424.91
    trioctyl phosphate 202.23
    1-bromopropane 668.19
    gamma-valerolactone 998.95
    n-decanol 349.4
    triethyl phosphate 231.63
    4-methyl-2-pentanol 523.34
    propionitrile 473.16
    vinylene carbonate 422.26
    1,1,2-trichlorotrifluoroethane 626.55
    DMS 396.09
    cumene 276.82
    2-octanol 393.19
    2-hexanone 523.15
    octyl acetate 381.66
    limonene 475.7
    1,2-dimethoxyethane 982.76
    ethyl orthosilicate 256.66
    tributyl phosphate 249.85
    diacetone alcohol 609.95
    N,N-dimethylaniline 367.68
    acrylonitrile 354.01
    aniline 491.72
    1,3-propanediol 526.02
    bromobenzene 465.91
    dibromomethane 757.57
    1,1,2,2-tetrachloroethane 1003.25
    2-methyl-cyclohexyl acetate 463.27
    tetrabutyl urea 295.46
    diisobutyl methanol 383.01
    2-phenylethanol 561.56
    styrene 364.65
    dioctyl adipate 363.66
    dimethyl sulfate 184.91
    ethyl butyrate 489.57
    methyl lactate 246.88
    butyl lactate 357.56
    diethyl carbonate 312.56
    propanediol butyl ether 618.03
    triethyl orthoformate 388.54
    p-tert-butyltoluene 277.93
    methyl 4-tert-butylbenzoate 412.79
    morpholine 1636.82
    tert-butylamine 1104.55
    n-dodecanol 265.0
    dimethoxymethane 560.29
    ethylene carbonate 406.25
    cyrene 384.34
    2-ethoxyethyl acetate 479.06
    2-ethylhexyl acetate 594.11
    1,2,4-trichlorobenzene 459.89
    4-methylpyridine 839.24
    dibutyl ether 655.08
    2,6-dimethyl-4-heptanol 383.01
    DEF 630.15
    dimethyl isosorbide 770.84
    tetrachloroethylene 634.02
    eugenol 387.04
    triacetin 506.91
    span 80 605.91
    1,4-butanediol 206.08
    1,1-dichloroethane 748.64
    2-methyl-1-pentanol 707.28
    methyl formate 205.71
    2-methyl-1-butanol 833.18
    n-decane 153.57
    butyronitrile 670.09
    3,7-dimethyl-1-octanol 551.88
    1-chlorooctane 384.46
    1-chlorotetradecane 157.24
    n-nonane 173.7
    undecane 107.69
    tert-butylcyclohexane 293.11
    cyclooctane 273.04
    cyclopentanol 698.18
    tetrahydropyran 1772.63
    tert-amyl methyl ether 929.53
    2,5,8-trioxanonane 732.23
    1-hexene 993.95
    2-isopropoxyethanol 471.98
    2,2,2-trifluoroethanol 149.22
    methyl butyrate 487.15

    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