4,8-Dimethyl-3,7-nonadien-2-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    27539-94-2

    Molecular formula
    C11H18O

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

  • Odor profile

    Fragrance
    Fruity 81.29%
    Floral 77.15%
    Citrus 70.71%
    Rose 60.78%
    Woody 60.45%
    Fresh 59.93%
    Sweet 59.67%
    Green 55.67%
    Herbal 51.92%
    Lemon 50.03%

     

    Flavor
    Floral 65.51%
    Green 57.98%
    Citrus 55.53%
    Sweet 53.55%
    Woody 43.84%
    Fruity 39.94%
    Lemon 39.46%
    Rose 39.06%
    Dry 37.04%
    Waxy 36.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.56 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    221°C

    Flash point

    • 85.61 ˚C est.

    Solubility expt.

    • insoluble in water; 50% soluble in heptane or triacetin
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 817-88-9
    • 4,8-DIMETHYL-3,7-NONADIEN-2-ONE
    • (3E)-4,8-dimethylnona-3,7-dien-2-one
    • (3E)-4,8-dimethyl-3,7-nonadien-2-one
    • FEMA No. 3969, E-
    • trans-4,8-Dimethyl-3,7-nonadien-2-one
    • UCA9GL2877
    • 4,8-Dimethyl-3,7-nonadien-2-one, (3E)-
    • 3,7-Nonadien-2-one, 4,8-dimethyl-, (E)-
    • 3,7-Nonadien-2-one, 4,8-dimethyl-, (3E)-
    • 4,8-Dimethylnona-3,7-dien-2-one
    • 3,7-Nonadien-2-one, 4,8-dimethyl-
    • 27539-94-2
    • UNII-560T9FW4IA
    • UNII-UCA9GL2877
    • FEMA No. 3969
    • 3,7-Nonadien-2-one,4,8-dimethyl-
    • (E)&(Z)-4,8-DIMETHYL-3,7-NONADIEN-2-ONE
    • (E) and (Z)-4,8-Dimethyl-3,7-nonadien-2-one
    • SCHEMBL808089
    • 4,8-DIMETHYL-3,7-NONADIEN-2-ONE, TRANS-
    • 560T9FW4IA
    • QAFYGHBGWCPRCI-CSKARUKUSA-
    • (E) and (Z)-4,8-Dimethyl-3,7-nonadien-2-one [FIFH]
    • DTXSID90905015
    • (3E)-4,8-dimethyl-nona-3,7-dien-2-one
    • Q27291018
    • InChI=1/C11H18O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8H,5,7H2,1-4H3/b10-8+

  • Applications

    4,8-Dimethyl-3,7-nonadien-2-one (CAS 27539-94-2) is mainly used as a fragrance ingredient in perfumery and cosmetics, and serves as a chemical intermediary for synthesizing other aroma compounds. It may also be employed in household cleaning products to impart a lasting scent. In industrial manufacturing, the compound can function as an intermediate in aroma synthesis, and in coatings/inks it may be used as a fragrance additive to improve product odor. The usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 979.01
    methanol 972.96
    isopropanol 889.7
    water 1.06
    ethyl acetate 552.95
    n-propanol 714.9
    acetone 570.5
    n-butanol 811.28
    acetonitrile 495.79
    DMF 543.38
    toluene 357.32
    isobutanol 576.93
    1,4-dioxane 1249.14
    methyl acetate 427.35
    THF 1399.39
    2-butanone 477.44
    n-pentanol 544.79
    sec-butanol 754.69
    n-hexane 606.07
    ethylene glycol 125.13
    NMP 544.94
    cyclohexane 496.37
    DMSO 340.18
    n-butyl acetate 531.7
    n-octanol 444.49
    chloroform 1335.25
    n-propyl acetate 308.79
    acetic acid 486.28
    dichloromethane 740.12
    cyclohexanone 731.99
    propylene glycol 314.45
    isopropyl acetate 360.84
    DMAc 531.06
    2-ethoxyethanol 462.46
    isopentanol 661.93
    n-heptane 365.78
    ethyl formate 262.07
    1,2-dichloroethane 431.8
    n-hexanol 1047.6
    2-methoxyethanol 762.99
    isobutyl acetate 239.87
    tetrachloromethane 272.06
    n-pentyl acetate 297.77
    transcutol 1595.09
    n-heptanol 394.99
    ethylbenzene 228.79
    MIBK 329.97
    2-propoxyethanol 948.59
    tert-butanol 1141.23
    MTBE 859.1
    2-butoxyethanol 460.84
    propionic acid 416.81
    o-xylene 240.05
    formic acid 125.49
    diethyl ether 823.17
    m-xylene 278.37
    p-xylene 266.88
    chlorobenzene 312.78
    dimethyl carbonate 113.88
    n-octane 110.43
    formamide 124.7
    cyclopentanone 616.42
    2-pentanone 473.03
    anisole 343.79
    cyclopentyl methyl ether 762.1
    gamma-butyrolactone 578.0
    1-methoxy-2-propanol 691.89
    pyridine 519.01
    3-pentanone 332.44
    furfural 450.62
    n-dodecane 68.55
    diethylene glycol 476.52
    diisopropyl ether 313.45
    tert-amyl alcohol 858.41
    acetylacetone 378.35
    n-hexadecane 76.32
    acetophenone 256.22
    methyl propionate 352.32
    isopentyl acetate 461.43
    trichloroethylene 753.58
    n-nonanol 373.83
    cyclohexanol 784.23
    benzyl alcohol 277.91
    2-ethylhexanol 569.47
    isooctanol 294.11
    dipropyl ether 625.87
    1,2-dichlorobenzene 263.2
    ethyl lactate 182.88
    propylene carbonate 382.98
    n-methylformamide 247.54
    2-pentanol 647.9
    n-pentane 388.57
    1-propoxy-2-propanol 760.85
    1-methoxy-2-propyl acetate 452.54
    2-(2-methoxypropoxy) propanol 429.22
    mesitylene 197.84
    ε-caprolactone 623.15
    p-cymene 188.61
    epichlorohydrin 634.44
    1,1,1-trichloroethane 646.41
    2-aminoethanol 344.62
    morpholine-4-carbaldehyde 669.87
    sulfolane 523.23
    2,2,4-trimethylpentane 134.12
    2-methyltetrahydrofuran 1090.19
    n-hexyl acetate 553.93
    isooctane 115.85
    2-(2-butoxyethoxy)ethanol 625.19
    sec-butyl acetate 257.19
    tert-butyl acetate 425.53
    decalin 188.87
    glycerin 283.6
    diglyme 834.26
    acrylic acid 266.47
    isopropyl myristate 227.78
    n-butyric acid 641.11
    acetyl acetate 274.15
    di(2-ethylhexyl) phthalate 194.38
    ethyl propionate 270.59
    nitromethane 413.26
    1,2-diethoxyethane 593.83
    benzonitrile 332.67
    trioctyl phosphate 149.64
    1-bromopropane 490.36
    gamma-valerolactone 763.07
    n-decanol 275.3
    triethyl phosphate 168.74
    4-methyl-2-pentanol 353.83
    propionitrile 433.51
    vinylene carbonate 314.81
    1,1,2-trichlorotrifluoroethane 505.39
    DMS 272.34
    cumene 184.7
    2-octanol 287.93
    2-hexanone 376.47
    octyl acetate 292.52
    limonene 350.53
    1,2-dimethoxyethane 757.71
    ethyl orthosilicate 187.29
    tributyl phosphate 186.53
    diacetone alcohol 460.67
    N,N-dimethylaniline 271.71
    acrylonitrile 340.73
    aniline 376.58
    1,3-propanediol 445.43
    bromobenzene 315.43
    dibromomethane 623.27
    1,1,2,2-tetrachloroethane 770.04
    2-methyl-cyclohexyl acetate 314.91
    tetrabutyl urea 225.25
    diisobutyl methanol 283.55
    2-phenylethanol 372.59
    styrene 242.74
    dioctyl adipate 274.48
    dimethyl sulfate 141.1
    ethyl butyrate 353.68
    methyl lactate 200.62
    butyl lactate 258.63
    diethyl carbonate 221.89
    propanediol butyl ether 480.71
    triethyl orthoformate 276.52
    p-tert-butyltoluene 195.74
    methyl 4-tert-butylbenzoate 304.91
    morpholine 1359.48
    tert-butylamine 874.07
    n-dodecanol 212.66
    dimethoxymethane 446.91
    ethylene carbonate 293.39
    cyrene 291.53
    2-ethoxyethyl acetate 342.35
    2-ethylhexyl acetate 377.4
    1,2,4-trichlorobenzene 312.0
    4-methylpyridine 582.12
    dibutyl ether 522.24
    2,6-dimethyl-4-heptanol 283.55
    DEF 437.52
    dimethyl isosorbide 588.1
    tetrachloroethylene 478.59
    eugenol 288.93
    triacetin 388.02
    span 80 481.9
    1,4-butanediol 182.71
    1,1-dichloroethane 627.98
    2-methyl-1-pentanol 465.69
    methyl formate 162.43
    2-methyl-1-butanol 582.74
    n-decane 127.02
    butyronitrile 563.98
    3,7-dimethyl-1-octanol 396.66
    1-chlorooctane 303.23
    1-chlorotetradecane 127.4
    n-nonane 143.6
    undecane 89.86
    tert-butylcyclohexane 202.88
    cyclooctane 188.53
    cyclopentanol 602.25
    tetrahydropyran 1361.66
    tert-amyl methyl ether 621.43
    2,5,8-trioxanonane 571.91
    1-hexene 798.49
    2-isopropoxyethanol 369.38
    2,2,2-trifluoroethanol 124.32
    methyl butyrate 341.12

    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
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.05%