2,2-Dimethyl-3,4-octadienal

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  • Identifiers

    CAS number
    590-71-6

    Molecular formula
    C10H16O

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

    Safety labels

  • Odor profile

    Fragrance
    Green 81.55%
    Fruity 58.3%
    Fresh 51.78%
    Aldehydic 42.51%
    Citrus 42.28%
    Herbal 40.73%
    Leafy 36.48%
    Melon 34.28%
    Pungent 33.8%
    Floral 32.36%

     

    Flavor
    Green 67.01%
    Citrus 46.72%
    Herbal 38.84%
    Floral 37.74%
    Fruity 36.4%
    Spicy 30.66%
    Fresh 30.61%
    Sweet 30.35%
    Woody 28.62%
    Herb 26.44%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    4.64 (weak acid)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    193°C

    Flash point

    • 77.99 ˚C est.

  • Synonyms

    • 2,2-Dimethyl-3,4-octadienal
    • 590-71-6
    • DTXSID10291487
    • RefChem:1059118
    • DTXCID10242631
    • 2,2-Dimethylocta-3,4-dienal
    • NSC75871
    • SCHEMBL29951233
    • 3,4-Octadienal, 2,2-dimethyl
    • VSFHYKIILWBKOH-UHFFFAOYSA-N
    • 2,2-Dimethyl-3,4-octadienal #
    • NSC-75871
    • 590-71-6

  • Applications

    2,2-Dimethyl-3,4-octadienal (CAS 590-71-6) is used as an odorant in perfumery and cosmetics, and as an intermediate in the synthesis of more complex aroma compounds. It may be employed as a fragrance additive in household products and as a building block for aroma chemicals in industrial manufacturing. In coatings and inks, it can be added to impart scent, depending on formulation and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 874.62
    methanol 777.43
    isopropanol 808.88
    water 0.57
    ethyl acetate 925.66
    n-propanol 765.68
    acetone 892.93
    n-butanol 928.54
    acetonitrile 616.43
    DMF 914.24
    toluene 463.46
    isobutanol 731.17
    1,4-dioxane 901.0
    methyl acetate 760.81
    THF 1288.28
    2-butanone 928.72
    n-pentanol 684.72
    sec-butanol 875.72
    n-hexane 536.85
    ethylene glycol 140.39
    NMP 740.69
    cyclohexane 371.92
    DMSO 497.73
    n-butyl acetate 1268.02
    n-octanol 473.37
    chloroform 2032.37
    n-propyl acetate 693.78
    acetic acid 630.45
    dichloromethane 1439.6
    cyclohexanone 1143.1
    propylene glycol 256.29
    isopropyl acetate 674.78
    DMAc 724.91
    2-ethoxyethanol 580.28
    isopentanol 988.71
    n-heptane 248.62
    ethyl formate 514.32
    1,2-dichloroethane 969.13
    n-hexanol 1183.8
    2-methoxyethanol 832.12
    isobutyl acetate 527.18
    tetrachloromethane 483.74
    n-pentyl acetate 508.3
    transcutol 2007.41
    n-heptanol 451.6
    ethylbenzene 401.52
    MIBK 658.48
    2-propoxyethanol 1071.01
    tert-butanol 1191.22
    MTBE 1165.17
    2-butoxyethanol 589.7
    propionic acid 580.46
    o-xylene 372.9
    formic acid 165.83
    diethyl ether 973.68
    m-xylene 428.21
    p-xylene 493.19
    chlorobenzene 600.21
    dimethyl carbonate 221.41
    n-octane 99.43
    formamide 188.59
    cyclopentanone 1038.22
    2-pentanone 942.74
    anisole 597.2
    cyclopentyl methyl ether 874.78
    gamma-butyrolactone 938.95
    1-methoxy-2-propanol 749.69
    pyridine 759.84
    3-pentanone 604.9
    furfural 852.16
    n-dodecane 59.41
    diethylene glycol 533.07
    diisopropyl ether 430.76
    tert-amyl alcohol 1159.29
    acetylacetone 637.68
    n-hexadecane 65.75
    acetophenone 514.65
    methyl propionate 586.6
    isopentyl acetate 1127.84
    trichloroethylene 2021.06
    n-nonanol 379.51
    cyclohexanol 832.61
    benzyl alcohol 437.1
    2-ethylhexanol 798.11
    isooctanol 404.97
    dipropyl ether 710.62
    1,2-dichlorobenzene 578.01
    ethyl lactate 303.82
    propylene carbonate 733.26
    n-methylformamide 412.11
    2-pentanol 854.15
    n-pentane 350.9
    1-propoxy-2-propanol 951.88
    1-methoxy-2-propyl acetate 786.18
    2-(2-methoxypropoxy) propanol 515.7
    mesitylene 320.17
    ε-caprolactone 986.46
    p-cymene 304.79
    epichlorohydrin 1098.0
    1,1,1-trichloroethane 1321.67
    2-aminoethanol 337.23
    morpholine-4-carbaldehyde 813.41
    sulfolane 878.9
    2,2,4-trimethylpentane 177.28
    2-methyltetrahydrofuran 1241.97
    n-hexyl acetate 802.48
    isooctane 175.92
    2-(2-butoxyethoxy)ethanol 717.91
    sec-butyl acetate 577.04
    tert-butyl acetate 778.87
    decalin 215.01
    glycerin 297.13
    diglyme 1095.13
    acrylic acid 445.68
    isopropyl myristate 301.3
    n-butyric acid 1002.59
    acetyl acetate 451.61
    di(2-ethylhexyl) phthalate 252.82
    ethyl propionate 553.63
    nitromethane 698.16
    1,2-diethoxyethane 867.99
    benzonitrile 593.85
    trioctyl phosphate 199.48
    1-bromopropane 949.91
    gamma-valerolactone 1156.73
    n-decanol 272.34
    triethyl phosphate 259.07
    4-methyl-2-pentanol 557.65
    propionitrile 665.24
    vinylene carbonate 615.45
    1,1,2-trichlorotrifluoroethane 816.5
    DMS 418.65
    cumene 315.12
    2-octanol 349.09
    2-hexanone 788.84
    octyl acetate 359.01
    limonene 478.44
    1,2-dimethoxyethane 981.63
    ethyl orthosilicate 295.11
    tributyl phosphate 271.15
    diacetone alcohol 735.86
    N,N-dimethylaniline 452.17
    acrylonitrile 649.83
    aniline 482.6
    1,3-propanediol 491.6
    bromobenzene 666.55
    dibromomethane 1153.39
    1,1,2,2-tetrachloroethane 1603.56
    2-methyl-cyclohexyl acetate 541.01
    tetrabutyl urea 299.89
    diisobutyl methanol 441.28
    2-phenylethanol 545.56
    styrene 447.11
    dioctyl adipate 359.07
    dimethyl sulfate 287.84
    ethyl butyrate 698.77
    methyl lactate 298.46
    butyl lactate 430.15
    diethyl carbonate 417.04
    propanediol butyl ether 604.29
    triethyl orthoformate 452.01
    p-tert-butyltoluene 314.12
    methyl 4-tert-butylbenzoate 450.61
    morpholine 1090.99
    tert-butylamine 969.92
    n-dodecanol 207.91
    dimethoxymethane 546.12
    ethylene carbonate 525.08
    cyrene 387.4
    2-ethoxyethyl acetate 581.83
    2-ethylhexyl acetate 877.68
    1,2,4-trichlorobenzene 641.32
    4-methylpyridine 953.21
    dibutyl ether 602.27
    2,6-dimethyl-4-heptanol 441.28
    DEF 808.45
    dimethyl isosorbide 714.38
    tetrachloroethylene 1097.77
    eugenol 440.75
    triacetin 547.06
    span 80 513.8
    1,4-butanediol 242.83
    1,1-dichloroethane 1351.9
    2-methyl-1-pentanol 719.42
    methyl formate 320.53
    2-methyl-1-butanol 867.83
    n-decane 108.6
    butyronitrile 926.57
    3,7-dimethyl-1-octanol 515.84
    1-chlorooctane 374.07
    1-chlorotetradecane 137.25
    n-nonane 122.7
    undecane 76.66
    tert-butylcyclohexane 242.95
    cyclooctane 149.68
    cyclopentanol 650.02
    tetrahydropyran 1241.42
    tert-amyl methyl ether 884.21
    2,5,8-trioxanonane 668.96
    1-hexene 1079.57
    2-isopropoxyethanol 546.79
    2,2,2-trifluoroethanol 195.04
    methyl butyrate 786.34

    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