3,7-Dimethyl-2,6-octadienyl 2,3-dimethylcrotonate

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  • Identifiers

    CAS number
    10402-48-9

    Molecular formula
    C16H26O2

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

  • Odor profile

    Fragrance
    Fruity 82.81%
    Floral 72.49%
    Rose 71.26%
    Herbal 63.22%
    Sweet 56.05%
    Citrus 48.09%
    Apple 44.57%
    Tropical 39.21%
    Geranium 37.55%
    Fresh 36.9%

     

    Flavor
    Sweet 55.49%
    Fruity 54.31%
    Rose 47.42%
    Herbal 43.09%
    Floral 39.32%
    Green 36.73%
    Bergamot 34.28%
    Geranium 33.89%
    Bitter 31.17%
    Citrus 30.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    8.47 (weak base)

    Molecular weight
    250.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    291°C

    Flash point

    • 125.95 ˚C est.

  • Synonyms

    • 10402-48-9
    • 3,7-Dimethyl-2,6-octadienyl 2,3-dimethylcrotonate
    • Geranyl methyl tiglate
    • [(2E)-3,7-dimethylocta-2,6-dienyl] 2,3-dimethylbut-2-enoate
    • EINECS 233-870-7
    • SCHEMBL3504669
    • GLMOJOJHHPDUHX-GXDHUFHOSA-N
    • DTXSID501184901
    • 2-Butenoic acid, 2,3-dimethyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
    • (2E)-3,7-Dimethyl-2,6-octadien-1-yl 2,3-dimethyl-2-butenoate

  • Applications

    3,7-Dimethyl-2,6-octadienyl 2,3-dimethylcrotonate (CAS 10402-48-9) is primarily used as a fragrance ingredient and odorant and can function as a fixative in perfumery due to its terpene-like structure. In cosmetics and personal care, it is employed as a fragrance component; in household products, it serves as a fragrance additive for air fresheners and detergents. It may also be used in coatings and inks as a scent modifier. In industrial manufacturing, it is handled as an intermediate or synthetic precursor for related aroma chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 653.6
    methanol 324.46
    isopropanol 724.88
    water 0.09
    ethyl acetate 1365.41
    n-propanol 606.52
    acetone 815.07
    n-butanol 746.58
    acetonitrile 547.04
    DMF 646.65
    toluene 810.83
    isobutanol 578.56
    1,4-dioxane 1946.79
    methyl acetate 814.95
    THF 2400.75
    2-butanone 1143.75
    n-pentanol 609.28
    sec-butanol 1021.91
    n-hexane 559.02
    ethylene glycol 14.71
    NMP 770.67
    cyclohexane 605.97
    DMSO 402.59
    n-butyl acetate 1034.84
    n-octanol 394.65
    chloroform 2739.55
    n-propyl acetate 817.29
    acetic acid 386.48
    dichloromethane 2119.43
    cyclohexanone 1522.06
    propylene glycol 78.09
    isopropyl acetate 932.92
    DMAc 880.43
    2-ethoxyethanol 569.13
    isopentanol 833.05
    n-heptane 192.54
    ethyl formate 379.27
    1,2-dichloroethane 1481.75
    n-hexanol 783.88
    2-methoxyethanol 628.56
    isobutyl acetate 577.25
    tetrachloromethane 441.67
    n-pentyl acetate 658.45
    transcutol 2346.34
    n-heptanol 403.64
    ethylbenzene 647.87
    MIBK 744.34
    2-propoxyethanol 808.0
    tert-butanol 1194.76
    MTBE 2021.93
    2-butoxyethanol 539.0
    propionic acid 331.84
    o-xylene 554.25
    formic acid 54.5
    diethyl ether 1785.76
    m-xylene 619.91
    p-xylene 853.08
    chlorobenzene 875.51
    dimethyl carbonate 177.16
    n-octane 93.59
    formamide 114.4
    cyclopentanone 1217.84
    2-pentanone 1043.0
    anisole 868.95
    cyclopentyl methyl ether 1281.52
    gamma-butyrolactone 972.25
    1-methoxy-2-propanol 659.21
    pyridine 1167.19
    3-pentanone 815.8
    furfural 731.15
    n-dodecane 51.83
    diethylene glycol 253.68
    diisopropyl ether 662.71
    tert-amyl alcohol 1363.76
    acetylacetone 805.58
    n-hexadecane 62.09
    acetophenone 682.05
    methyl propionate 643.98
    isopentyl acetate 1023.18
    trichloroethylene 2414.53
    n-nonanol 385.63
    cyclohexanol 910.9
    benzyl alcohol 464.08
    2-ethylhexanol 587.67
    isooctanol 384.78
    dipropyl ether 760.86
    1,2-dichlorobenzene 774.24
    ethyl lactate 237.77
    propylene carbonate 635.49
    n-methylformamide 225.71
    2-pentanol 847.92
    n-pentane 295.36
    1-propoxy-2-propanol 733.06
    1-methoxy-2-propyl acetate 833.57
    2-(2-methoxypropoxy) propanol 633.34
    mesitylene 417.18
    ε-caprolactone 1259.64
    p-cymene 303.68
    epichlorohydrin 1583.69
    1,1,1-trichloroethane 1811.82
    2-aminoethanol 98.64
    morpholine-4-carbaldehyde 895.64
    sulfolane 864.68
    2,2,4-trimethylpentane 181.91
    2-methyltetrahydrofuran 2322.45
    n-hexyl acetate 910.49
    isooctane 134.11
    2-(2-butoxyethoxy)ethanol 820.41
    sec-butyl acetate 822.26
    tert-butyl acetate 1076.42
    decalin 301.49
    glycerin 82.71
    diglyme 1344.58
    acrylic acid 183.51
    isopropyl myristate 362.34
    n-butyric acid 757.69
    acetyl acetate 645.06
    di(2-ethylhexyl) phthalate 271.01
    ethyl propionate 773.5
    nitromethane 578.04
    1,2-diethoxyethane 1237.34
    benzonitrile 527.13
    trioctyl phosphate 190.32
    1-bromopropane 1330.79
    gamma-valerolactone 1326.31
    n-decanol 276.09
    triethyl phosphate 307.66
    4-methyl-2-pentanol 481.4
    propionitrile 567.21
    vinylene carbonate 486.6
    1,1,2-trichlorotrifluoroethane 621.56
    DMS 492.13
    cumene 409.23
    2-octanol 354.28
    2-hexanone 898.56
    octyl acetate 442.86
    limonene 499.07
    1,2-dimethoxyethane 1343.54
    ethyl orthosilicate 342.2
    tributyl phosphate 254.1
    diacetone alcohol 791.44
    N,N-dimethylaniline 580.27
    acrylonitrile 429.06
    aniline 622.58
    1,3-propanediol 269.16
    bromobenzene 1007.75
    dibromomethane 1605.06
    1,1,2,2-tetrachloroethane 2206.34
    2-methyl-cyclohexyl acetate 654.49
    tetrabutyl urea 302.49
    diisobutyl methanol 331.83
    2-phenylethanol 543.64
    styrene 670.44
    dioctyl adipate 463.21
    dimethyl sulfate 236.1
    ethyl butyrate 786.06
    methyl lactate 181.88
    butyl lactate 360.53
    diethyl carbonate 460.5
    propanediol butyl ether 379.76
    triethyl orthoformate 538.03
    p-tert-butyltoluene 299.63
    methyl 4-tert-butylbenzoate 594.89
    morpholine 2239.91
    tert-butylamine 997.84
    n-dodecanol 201.62
    dimethoxymethane 589.61
    ethylene carbonate 472.24
    cyrene 417.84
    2-ethoxyethyl acetate 740.67
    2-ethylhexyl acetate 851.06
    1,2,4-trichlorobenzene 889.77
    4-methylpyridine 1420.7
    dibutyl ether 755.83
    2,6-dimethyl-4-heptanol 331.83
    DEF 989.68
    dimethyl isosorbide 1015.61
    tetrachloroethylene 1228.15
    eugenol 482.22
    triacetin 630.28
    span 80 570.69
    1,4-butanediol 104.05
    1,1-dichloroethane 1774.05
    2-methyl-1-pentanol 762.75
    methyl formate 148.39
    2-methyl-1-butanol 811.15
    n-decane 108.34
    butyronitrile 813.72
    3,7-dimethyl-1-octanol 458.9
    1-chlorooctane 421.07
    1-chlorotetradecane 148.25
    n-nonane 110.45
    undecane 70.85
    tert-butylcyclohexane 282.31
    cyclooctane 194.9
    cyclopentanol 636.8
    tetrahydropyran 2554.42
    tert-amyl methyl ether 1397.49
    2,5,8-trioxanonane 866.56
    1-hexene 1101.2
    2-isopropoxyethanol 538.53
    2,2,2-trifluoroethanol 101.86
    methyl butyrate 931.3

    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