3,7-Dimethylocta-2,6-dienyl acetate

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  • Identifiers

    CAS number
    16409-44-2

    Molecular formula
    C12H20O2

    SMILES
    CC(=CCCC(=CCOC(=O)C)C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 87.26%
    Floral 83.09%
    Green 80.64%
    Sweet 75.84%
    Citrus 73.94%
    Rose 73.83%
    Waxy 61.37%
    Fresh 58.35%
    Tropical 56.66%
    Geranium 48.12%

     

    Flavor
    Green 72.85%
    Rose 71.06%
    Bitter 68.42%
    Floral 63.5%
    Waxy 53.61%
    Fruity 48.81%
    Sweet 48.24%
    Fresh 41.68%
    Geranium 41.24%
    Citrus 41.19%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    9.0 (weak base)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    246°C

    Flash point

    • 105.08 ˚C est.

  • Synonyms

    • 3,7-Dimethylocta-2,6-dienyl acetate
    • 16409-44-2
    • 3,7-Dimethyl-2,6-octadienyl acetate
    • EINECS 240-458-0
    • 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate
    • Geranyl acetate 59-61%
    • DTXSID8048153
    • HIGQPQRQIQDZMP-UHFFFAOYSA-N
    • SY048900
    • NS00086789
    • Q27160459
    • 240-458-0

  • Applications

    3,7-Dimethylocta-2,6-dienyl acetate (CAS 16409-44-2) is an ester of linalool commonly used as a fragrance ingredient and a light fixing agent in perfumery; it also serves as a fragrance component in cosmetics and personal care products such as lotions, creams, and shampoos. It is employed to scent household products like air fresheners and cleaners. In addition, it may be used as a flavor/aroma ingredient in food processing where permitted by regulation, and as an intermediate in the synthesis of other fragrance compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1383.28
    methanol 1314.27
    isopropanol 991.94
    water 1.34
    ethyl acetate 554.5
    n-propanol 751.1
    acetone 640.94
    n-butanol 745.17
    acetonitrile 484.0
    DMF 535.17
    toluene 276.54
    isobutanol 469.36
    1,4-dioxane 1630.16
    methyl acetate 444.56
    THF 1464.62
    2-butanone 470.07
    n-pentanol 505.28
    sec-butanol 729.73
    n-hexane 118.24
    ethylene glycol 113.81
    NMP 462.07
    cyclohexane 169.42
    DMSO 526.75
    n-butyl acetate 313.54
    n-octanol 222.69
    chloroform 1350.64
    n-propyl acetate 301.12
    acetic acid 577.31
    dichloromethane 879.71
    cyclohexanone 607.22
    propylene glycol 341.7
    isopropyl acetate 327.31
    DMAc 614.2
    2-ethoxyethanol 688.48
    isopentanol 538.04
    n-heptane 56.66
    ethyl formate 249.67
    1,2-dichloroethane 445.69
    n-hexanol 522.82
    2-methoxyethanol 1080.76
    isobutyl acetate 206.69
    tetrachloromethane 150.68
    n-pentyl acetate 198.19
    transcutol 1908.46
    n-heptanol 206.9
    ethylbenzene 167.84
    MIBK 249.1
    2-propoxyethanol 745.69
    tert-butanol 1065.52
    MTBE 676.8
    2-butoxyethanol 357.74
    propionic acid 395.73
    o-xylene 167.72
    formic acid 173.22
    diethyl ether 717.7
    m-xylene 180.76
    p-xylene 215.4
    chlorobenzene 249.27
    dimethyl carbonate 100.02
    n-octane 21.27
    formamide 250.5
    cyclopentanone 518.33
    2-pentanone 401.24
    anisole 363.07
    cyclopentyl methyl ether 555.68
    gamma-butyrolactone 502.01
    1-methoxy-2-propanol 789.93
    pyridine 644.19
    3-pentanone 269.2
    furfural 462.97
    n-dodecane 17.89
    diethylene glycol 429.26
    diisopropyl ether 177.61
    tert-amyl alcohol 762.84
    acetylacetone 379.09
    n-hexadecane 20.23
    acetophenone 260.19
    methyl propionate 312.84
    isopentyl acetate 302.16
    trichloroethylene 813.35
    n-nonanol 201.87
    cyclohexanol 577.48
    benzyl alcohol 304.05
    2-ethylhexanol 258.63
    isooctanol 151.75
    dipropyl ether 297.86
    1,2-dichlorobenzene 218.76
    ethyl lactate 162.7
    propylene carbonate 307.04
    n-methylformamide 270.34
    2-pentanol 476.22
    n-pentane 91.08
    1-propoxy-2-propanol 494.14
    1-methoxy-2-propyl acetate 363.3
    2-(2-methoxypropoxy) propanol 394.61
    mesitylene 112.39
    ε-caprolactone 544.78
    p-cymene 92.73
    epichlorohydrin 695.51
    1,1,1-trichloroethane 520.16
    2-aminoethanol 391.4
    morpholine-4-carbaldehyde 776.4
    sulfolane 474.53
    2,2,4-trimethylpentane 45.27
    2-methyltetrahydrofuran 1049.57
    n-hexyl acetate 358.69
    isooctane 30.21
    2-(2-butoxyethoxy)ethanol 582.37
    sec-butyl acetate 237.6
    tert-butyl acetate 372.11
    decalin 71.68
    glycerin 321.58
    diglyme 885.32
    acrylic acid 254.46
    isopropyl myristate 137.94
    n-butyric acid 565.69
    acetyl acetate 310.5
    di(2-ethylhexyl) phthalate 140.09
    ethyl propionate 257.51
    nitromethane 579.32
    1,2-diethoxyethane 557.53
    benzonitrile 283.21
    trioctyl phosphate 89.88
    1-bromopropane 369.68
    gamma-valerolactone 835.48
    n-decanol 148.77
    triethyl phosphate 135.55
    4-methyl-2-pentanol 239.87
    propionitrile 355.65
    vinylene carbonate 275.54
    1,1,2-trichlorotrifluoroethane 546.15
    DMS 223.39
    cumene 114.89
    2-octanol 144.97
    2-hexanone 321.85
    octyl acetate 177.65
    limonene 159.76
    1,2-dimethoxyethane 985.35
    ethyl orthosilicate 146.7
    tributyl phosphate 123.26
    diacetone alcohol 421.34
    N,N-dimethylaniline 241.44
    acrylonitrile 326.09
    aniline 396.52
    1,3-propanediol 560.63
    bromobenzene 249.05
    dibromomethane 612.55
    1,1,2,2-tetrachloroethane 820.79
    2-methyl-cyclohexyl acetate 241.92
    tetrabutyl urea 144.16
    diisobutyl methanol 133.56
    2-phenylethanol 291.0
    styrene 201.8
    dioctyl adipate 214.91
    dimethyl sulfate 133.56
    ethyl butyrate 271.17
    methyl lactate 167.51
    butyl lactate 180.01
    diethyl carbonate 182.8
    propanediol butyl ether 385.94
    triethyl orthoformate 216.88
    p-tert-butyltoluene 93.96
    methyl 4-tert-butylbenzoate 243.4
    morpholine 1934.49
    tert-butylamine 667.59
    n-dodecanol 110.61
    dimethoxymethane 455.7
    ethylene carbonate 253.64
    cyrene 291.0
    2-ethoxyethyl acetate 301.42
    2-ethylhexyl acetate 239.33
    1,2,4-trichlorobenzene 287.34
    4-methylpyridine 615.27
    dibutyl ether 292.98
    2,6-dimethyl-4-heptanol 133.56
    DEF 408.63
    dimethyl isosorbide 538.87
    tetrachloroethylene 476.74
    eugenol 241.07
    triacetin 344.73
    span 80 372.59
    1,4-butanediol 207.69
    1,1-dichloroethane 592.47
    2-methyl-1-pentanol 384.1
    methyl formate 162.88
    2-methyl-1-butanol 455.11
    n-decane 33.57
    butyronitrile 439.79
    3,7-dimethyl-1-octanol 214.43
    1-chlorooctane 128.64
    1-chlorotetradecane 49.39
    n-nonane 32.32
    undecane 23.32
    tert-butylcyclohexane 67.79
    cyclooctane 47.98
    cyclopentanol 439.16
    tetrahydropyran 1343.59
    tert-amyl methyl ether 459.99
    2,5,8-trioxanonane 645.07
    1-hexene 334.3
    2-isopropoxyethanol 425.75
    2,2,2-trifluoroethanol 130.87
    methyl butyrate 330.27

    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