4,8-Dimethyl-3,7-nonadien-2-ol acetate

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  • Identifiers

    CAS number
    91418-25-6

    Molecular formula
    C13H22O2

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

  • Odor profile

    Fragrance
    Citrus 72.35%
    Floral 65.35%
    Green 59.49%
    Fresh 53.36%
    Sweet 52.58%
    Woody 50.41%
    Lemon 50.37%
    Fruity 49.46%
    Bergamot 47.49%
    Rose 47.43%

     

    Flavor
    Floral 70.24%
    Green 66.53%
    Sweet 57.16%
    Rose 55.16%
    Citrus 53.85%
    Woody 49.56%
    Fruity 46.78%
    Lavender 46.57%
    Bergamot 44.84%
    Tropical 43.19%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.88 (weak base)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 108.19 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in most non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • FEMA No. 4103
    • FEMA No. 4103, E-
    • 3,7-Nonadien-2-ol, 4,8-Dimethyl-, acetate
    • 3,7-Nonadien-2-ol, 4,8-Dimethyl-, 2-acetate
    • 7W4J428G2M
    • 4,8-DIMETHYL-3,7-NONADIEN-2-YL ACETATE
    • 4,8-Dimethyl-3,7-nonadien-2-yl acetate, (3E)-
    • (+/-)-4,8-Dimethyl-3,7-nonadien-2-yl acetate, (3E)
    • 3,7-Nonadien-2-ol, 4,8-dimethyl-, 2-acetate, (3E)-
    • (+/-)-cis and trans-4,8-Dimethyl-3,7-nonadien-2-yl acetate
    • 0H52S55471
    • (+/-)-trans and cis-4,8-Dimethyl-3,7-nonadien-2-yl acetate [FIFH]
    • 91418-25-6
    • 1124342-26-2
    • DTXSID10893824
    • UNII-7W4J428G2M
    • (+/-)-trans and cis-4,8-Dimethyl-3,7-nonadien-2-yl acetate (FIFH)
    • UNII-0H52S55471
    • Acetate, (1,3,7-trimethyl-2,6-octadienyl) ester
    • SCHEMBL1618215
    • AZPPBYINNXLPQZ-PKNBQFBNSA-N
    • DTXCID701323870
    • (+/-)-TRANS- AND CIS-4,8-DIMETHYL-3,7-NONADIEN-2-YL ACETATE
    • (3E)-4,8-dimethyl-3,7-nonadien-2-yl acetate
    • (2E)-1,3,7-Trimethyl-2,6-octadienyl acetate #
    • Acetic acid, 1,3,7-trimethylocta-2,6-dienyl ester
    • Q27236775
    • (+/-)-TRANS AND CIS-4,8-DIMETHYL-3,7-NONADIEN-2-YL ACETATE
    • (+/-)-TRANS AND CIS-4,8-DIMETHYL-3,7-NONADIEN-2-YL ACETATE [FHFI]
    • 618-746-6

  • Applications

    The chemical 4,8-Dimethyl-3,7-nonadien-2-ol acetate (CAS 91418-25-6) is primarily used as a fragrance ingredient and odorant in perfumery, contributing to distinctive notes in formulations; it may also serve as an intermediate in fragrance compound synthesis. In cosmetics and personal care, it is evaluated for inclusion in scented products; in household products such as cleaners and air fresheners, it can function as a fragrance component; in coatings and inks, it may be incorporated as a scent additive. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1430.61
    methanol 1545.74
    isopropanol 1088.8
    water 1.32
    ethyl acetate 685.9
    n-propanol 905.02
    acetone 791.79
    n-butanol 953.95
    acetonitrile 563.23
    DMF 839.38
    toluene 406.22
    isobutanol 685.23
    1,4-dioxane 1652.73
    methyl acetate 527.44
    THF 2075.89
    2-butanone 583.15
    n-pentanol 695.54
    sec-butanol 896.39
    n-hexane 325.45
    ethylene glycol 134.67
    NMP 872.28
    cyclohexane 369.18
    DMSO 601.32
    n-butyl acetate 513.56
    n-octanol 391.3
    chloroform 1717.68
    n-propyl acetate 391.83
    acetic acid 732.21
    dichloromethane 1117.61
    cyclohexanone 982.69
    propylene glycol 356.15
    isopropyl acetate 470.47
    DMAc 912.14
    2-ethoxyethanol 637.64
    isopentanol 772.63
    n-heptane 138.15
    ethyl formate 342.8
    1,2-dichloroethane 606.25
    n-hexanol 894.62
    2-methoxyethanol 1088.32
    isobutyl acetate 280.98
    tetrachloromethane 233.0
    n-pentyl acetate 341.85
    transcutol 2163.21
    n-heptanol 317.44
    ethylbenzene 245.53
    MIBK 374.0
    2-propoxyethanol 1012.32
    tert-butanol 1293.26
    MTBE 1005.65
    2-butoxyethanol 450.15
    propionic acid 511.52
    o-xylene 250.86
    formic acid 206.67
    diethyl ether 967.69
    m-xylene 302.95
    p-xylene 296.72
    chlorobenzene 386.01
    dimethyl carbonate 161.46
    n-octane 49.22
    formamide 214.65
    cyclopentanone 820.78
    2-pentanone 572.79
    anisole 418.71
    cyclopentyl methyl ether 938.0
    gamma-butyrolactone 844.87
    1-methoxy-2-propanol 906.92
    pyridine 683.71
    3-pentanone 403.19
    furfural 647.92
    n-dodecane 39.8
    diethylene glycol 552.23
    diisopropyl ether 308.69
    tert-amyl alcohol 1001.43
    acetylacetone 505.16
    n-hexadecane 44.52
    acetophenone 324.95
    methyl propionate 442.19
    isopentyl acetate 465.85
    trichloroethylene 1065.53
    n-nonanol 341.1
    cyclohexanol 927.44
    benzyl alcohol 364.77
    2-ethylhexanol 454.2
    isooctanol 238.77
    dipropyl ether 489.29
    1,2-dichlorobenzene 329.48
    ethyl lactate 216.72
    propylene carbonate 508.72
    n-methylformamide 354.11
    2-pentanol 666.21
    n-pentane 228.79
    1-propoxy-2-propanol 699.19
    1-methoxy-2-propyl acetate 502.2
    2-(2-methoxypropoxy) propanol 506.33
    mesitylene 190.76
    ε-caprolactone 850.26
    p-cymene 145.4
    epichlorohydrin 924.44
    1,1,1-trichloroethane 752.21
    2-aminoethanol 404.8
    morpholine-4-carbaldehyde 1005.69
    sulfolane 783.85
    2,2,4-trimethylpentane 97.79
    2-methyltetrahydrofuran 1452.03
    n-hexyl acetate 630.41
    isooctane 66.07
    2-(2-butoxyethoxy)ethanol 706.71
    sec-butyl acetate 316.24
    tert-butyl acetate 520.26
    decalin 139.93
    glycerin 342.37
    diglyme 996.41
    acrylic acid 330.95
    isopropyl myristate 222.89
    n-butyric acid 792.88
    acetyl acetate 394.48
    di(2-ethylhexyl) phthalate 221.52
    ethyl propionate 346.0
    nitromethane 675.71
    1,2-diethoxyethane 673.82
    benzonitrile 391.65
    trioctyl phosphate 151.27
    1-bromopropane 574.42
    gamma-valerolactone 1110.91
    n-decanol 242.76
    triethyl phosphate 186.47
    4-methyl-2-pentanol 353.93
    propionitrile 451.68
    vinylene carbonate 429.56
    1,1,2-trichlorotrifluoroethane 706.09
    DMS 349.21
    cumene 176.04
    2-octanol 250.33
    2-hexanone 440.4
    octyl acetate 295.78
    limonene 273.3
    1,2-dimethoxyethane 1019.27
    ethyl orthosilicate 200.79
    tributyl phosphate 200.66
    diacetone alcohol 557.9
    N,N-dimethylaniline 309.58
    acrylonitrile 395.49
    aniline 481.32
    1,3-propanediol 585.56
    bromobenzene 391.39
    dibromomethane 813.72
    1,1,2,2-tetrachloroethane 1039.84
    2-methyl-cyclohexyl acetate 345.2
    tetrabutyl urea 242.99
    diisobutyl methanol 209.02
    2-phenylethanol 418.1
    styrene 278.07
    dioctyl adipate 323.85
    dimethyl sulfate 212.79
    ethyl butyrate 354.46
    methyl lactate 243.71
    butyl lactate 273.15
    diethyl carbonate 235.93
    propanediol butyl ether 527.44
    triethyl orthoformate 279.54
    p-tert-butyltoluene 143.9
    methyl 4-tert-butylbenzoate 341.98
    morpholine 1920.55
    tert-butylamine 873.52
    n-dodecanol 180.3
    dimethoxymethane 667.87
    ethylene carbonate 393.21
    cyrene 381.31
    2-ethoxyethyl acetate 410.57
    2-ethylhexyl acetate 388.85
    1,2,4-trichlorobenzene 414.38
    4-methylpyridine 792.24
    dibutyl ether 469.41
    2,6-dimethyl-4-heptanol 209.02
    DEF 580.19
    dimethyl isosorbide 718.89
    tetrachloroethylene 605.76
    eugenol 325.06
    triacetin 479.29
    span 80 503.75
    1,4-butanediol 235.86
    1,1-dichloroethane 799.07
    2-methyl-1-pentanol 583.95
    methyl formate 237.07
    2-methyl-1-butanol 717.75
    n-decane 73.49
    butyronitrile 596.2
    3,7-dimethyl-1-octanol 362.44
    1-chlorooctane 249.6
    1-chlorotetradecane 100.11
    n-nonane 76.65
    undecane 51.42
    tert-butylcyclohexane 137.76
    cyclooctane 116.09
    cyclopentanol 776.5
    tetrahydropyran 1706.25
    tert-amyl methyl ether 685.86
    2,5,8-trioxanonane 727.33
    1-hexene 599.82
    2-isopropoxyethanol 455.39
    2,2,2-trifluoroethanol 169.24
    methyl butyrate 426.29

    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