2-Butenal, 2,3-dimethyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

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  • Identifiers

    CAS number
    71850-78-7

    Molecular formula
    C15H24O

    SMILES
    CC1=C(C(CCC1)(C)C)C/C(=C(\C)/C=O)/C

    Safety labels

  • Odor profile

    Fragrance
    Woody 79.06%
    Floral 73.97%
    Sweet 60.66%
    Powdery 55.45%
    Violet 53.64%
    Orris 52.75%
    Fruity 42.95%
    Dry 42.85%
    Berry 41.99%
    Tobacco 40.48%

     

    Flavor
    Woody 62.67%
    Herbal 43.04%
    Floral 42.85%
    Spicy 37.44%
    Sweet 35.81%
    Citrus 32.9%
    Wood 32.67%
    Dry 31.18%
    Orris 28.34%
    Camphor 27.23%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    9.17 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    290°C

    Flash point

    • 115.14 ˚C est.

  • Synonyms

    • EINECS 276-097-0
    • 2,3-Dimethyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal
    • 2-Butenal, 2,3-dimethyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
    • 71850-78-7
    • DTXSID4072445
    • 2,3-Dimethyl-4-(2,2,6-trimethyl-5-cyclohexenyl-1)-2-buten-1-al
    • RefChem:467442
    • DTXCID7047142
    • 276-097-0
    • CQCCAGSSRPAZNY-OUKQBFOZSA-N
    • (E)-2,3-dimethyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-enal
    • (2E)-2,3-DIMETHYL-4-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUT-2-ENAL
    • 71850-78-7

  • Applications

    2-Butenal, 2,3-dimethyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS 71850-78-7) is primarily used as an aroma chemical in perfumery and cosmetics, contributing a green, terpenoid-like note in fragrance formulations. It is employed as a fragrance additive in household products such as detergents, cleaners, and air fresheners to impart and extend a characteristic scent, and it can function as a scent modifier or fixative to improve fragrance longevity. The compound is also used as an intermediate in the synthesis of other aroma compounds and fragrance ingredients, and may be incorporated into polymers/plastics or coatings/inks to impart odor characteristics to finished products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 522.57
    methanol 366.19
    isopropanol 498.87
    water 0.16
    ethyl acetate 1535.43
    n-propanol 647.29
    acetone 994.99
    n-butanol 613.22
    acetonitrile 947.31
    DMF 1104.08
    toluene 1289.27
    isobutanol 449.95
    1,4-dioxane 1858.92
    methyl acetate 1197.59
    THF 2337.93
    2-butanone 1553.06
    n-pentanol 362.83
    sec-butanol 580.97
    n-hexane 125.44
    ethylene glycol 34.03
    NMP 812.35
    cyclohexane 208.83
    DMSO 476.26
    n-butyl acetate 1162.97
    n-octanol 202.08
    chloroform 2933.29
    n-propyl acetate 806.32
    acetic acid 257.36
    dichloromethane 2478.7
    cyclohexanone 1674.33
    propylene glycol 95.92
    isopropyl acetate 903.68
    DMAc 869.02
    2-ethoxyethanol 439.03
    isopentanol 555.19
    n-heptane 58.52
    ethyl formate 621.53
    1,2-dichloroethane 1588.72
    n-hexanol 580.18
    2-methoxyethanol 674.03
    isobutyl acetate 517.71
    tetrachloromethane 511.55
    n-pentyl acetate 530.83
    transcutol 2154.7
    n-heptanol 262.73
    ethylbenzene 631.38
    MIBK 641.85
    2-propoxyethanol 847.42
    tert-butanol 738.46
    MTBE 1161.25
    2-butoxyethanol 476.17
    propionic acid 406.9
    o-xylene 647.33
    formic acid 68.11
    diethyl ether 1275.3
    m-xylene 745.04
    p-xylene 761.23
    chlorobenzene 1265.19
    dimethyl carbonate 326.8
    n-octane 23.29
    formamide 174.04
    cyclopentanone 1639.49
    2-pentanone 1161.6
    anisole 1056.45
    cyclopentyl methyl ether 1095.3
    gamma-butyrolactone 1481.74
    1-methoxy-2-propanol 655.29
    pyridine 1929.32
    3-pentanone 958.87
    furfural 1278.68
    n-dodecane 12.01
    diethylene glycol 308.01
    diisopropyl ether 374.93
    tert-amyl alcohol 698.47
    acetylacetone 945.56
    n-hexadecane 15.36
    acetophenone 787.99
    methyl propionate 952.9
    isopentyl acetate 1006.49
    trichloroethylene 3140.67
    n-nonanol 190.84
    cyclohexanol 607.72
    benzyl alcohol 570.2
    2-ethylhexanol 391.89
    isooctanol 245.34
    dipropyl ether 549.96
    1,2-dichlorobenzene 1011.93
    ethyl lactate 257.33
    propylene carbonate 868.52
    n-methylformamide 531.08
    2-pentanol 454.27
    n-pentane 99.17
    1-propoxy-2-propanol 731.4
    1-methoxy-2-propyl acetate 1009.27
    2-(2-methoxypropoxy) propanol 468.35
    mesitylene 427.17
    ε-caprolactone 1409.18
    p-cymene 305.04
    epichlorohydrin 2020.02
    1,1,1-trichloroethane 1882.15
    2-aminoethanol 145.35
    morpholine-4-carbaldehyde 1120.18
    sulfolane 995.8
    2,2,4-trimethylpentane 59.7
    2-methyltetrahydrofuran 1809.68
    n-hexyl acetate 672.81
    isooctane 56.68
    2-(2-butoxyethoxy)ethanol 614.18
    sec-butyl acetate 638.95
    tert-butyl acetate 898.12
    decalin 118.24
    glycerin 107.56
    diglyme 1241.68
    acrylic acid 281.24
    isopropyl myristate 241.0
    n-butyric acid 748.76
    acetyl acetate 616.75
    di(2-ethylhexyl) phthalate 223.51
    ethyl propionate 734.62
    nitromethane 741.59
    1,2-diethoxyethane 959.15
    benzonitrile 920.14
    trioctyl phosphate 143.16
    1-bromopropane 1061.08
    gamma-valerolactone 1785.11
    n-decanol 128.4
    triethyl phosphate 267.55
    4-methyl-2-pentanol 297.18
    propionitrile 1059.15
    vinylene carbonate 795.85
    1,1,2-trichlorotrifluoroethane 793.18
    DMS 575.93
    cumene 372.1
    2-octanol 174.29
    2-hexanone 787.54
    octyl acetate 287.02
    limonene 364.59
    1,2-dimethoxyethane 1127.39
    ethyl orthosilicate 276.48
    tributyl phosphate 190.61
    diacetone alcohol 665.8
    N,N-dimethylaniline 618.68
    acrylonitrile 1040.32
    aniline 1038.21
    1,3-propanediol 257.28
    bromobenzene 1449.3
    dibromomethane 1704.87
    1,1,2,2-tetrachloroethane 2235.12
    2-methyl-cyclohexyl acetate 539.34
    tetrabutyl urea 221.18
    diisobutyl methanol 226.99
    2-phenylethanol 691.48
    styrene 763.84
    dioctyl adipate 328.22
    dimethyl sulfate 364.11
    ethyl butyrate 730.05
    methyl lactate 260.91
    butyl lactate 375.26
    diethyl carbonate 434.16
    propanediol butyl ether 334.05
    triethyl orthoformate 437.31
    p-tert-butyltoluene 305.96
    methyl 4-tert-butylbenzoate 539.43
    morpholine 2086.06
    tert-butylamine 554.39
    n-dodecanol 87.4
    dimethoxymethane 792.41
    ethylene carbonate 681.11
    cyrene 405.0
    2-ethoxyethyl acetate 763.25
    2-ethylhexyl acetate 790.41
    1,2,4-trichlorobenzene 1139.39
    4-methylpyridine 2056.7
    dibutyl ether 382.01
    2,6-dimethyl-4-heptanol 226.99
    DEF 1099.17
    dimethyl isosorbide 915.77
    tetrachloroethylene 1346.77
    eugenol 492.62
    triacetin 569.43
    span 80 368.93
    1,4-butanediol 94.86
    1,1-dichloroethane 1834.31
    2-methyl-1-pentanol 397.26
    methyl formate 361.92
    2-methyl-1-butanol 511.91
    n-decane 27.98
    butyronitrile 1078.25
    3,7-dimethyl-1-octanol 259.98
    1-chlorooctane 191.52
    1-chlorotetradecane 54.97
    n-nonane 28.02
    undecane 17.47
    tert-butylcyclohexane 112.09
    cyclooctane 68.93
    cyclopentanol 515.87
    tetrahydropyran 2178.99
    tert-amyl methyl ether 735.06
    2,5,8-trioxanonane 722.6
    1-hexene 491.54
    2-isopropoxyethanol 384.22
    2,2,2-trifluoroethanol 104.7
    methyl butyrate 933.85

    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