2-Butenal, 2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-

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  • Identifiers

    CAS number
    65114-02-5

    Molecular formula
    C14H22O

    SMILES
    CCC(=CCC1CC=C(C1(C)C)C)C=O

    Safety labels

  • Odor profile

    Fragrance
    Woody 74.27%
    Herbal 48.14%
    Oily 40.62%
    Green 40.24%
    Violet 35.63%
    Fatty 35.24%
    Dry 34.99%
    Sandalwood 33.85%
    Nutty 32.54%
    Spicy 32.49%

     

    Flavor
    Herbal 61.48%
    Woody 59.95%
    Floral 45.03%
    Spicy 43.87%
    Green 41.77%
    Sweet 41.38%
    Citrus 36.83%
    Fresh 31.63%
    Wood 29.77%
    Herb 29.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.39 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    271°C

    Flash point

    • 117.77 ˚C est.

  • Synonyms

    • 65114-02-5
    • 2-Butenal, 2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
    • 2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enal
    • 2-Ethyl-4-(2,2,3-trimethyl-cyclopent-3-enyl)-but-2-enal
    • SCHEMBL2425034
    • DTXSID20867117
    • DB-122152
    • NS00004701
    • NS00125013
    • 2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-al
    • 65114-02-5

  • Applications

    2-Butenal, 2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)- (CAS 65114-02-5) is primarily used as a fragrance/odorant ingredient in perfumery, where it may act as an aroma compound and can function as a fragrance fixative in formulations; in cosmetics and personal care it is evaluated or used as a fragrance component; in household products such as cleaners and laundry products it can impart a scent; in coatings and inks, as well as in plastics, it may be added as a fragrance additive or fragrance intermediate; in industrial manufacturing it may serve as an intermediate for synthesis of other aroma chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 468.83
    methanol 371.2
    isopropanol 421.63
    water 0.81
    ethyl acetate 1516.92
    n-propanol 476.13
    acetone 763.0
    n-butanol 474.95
    acetonitrile 598.6
    DMF 839.11
    toluene 1186.11
    isobutanol 316.84
    1,4-dioxane 2171.14
    methyl acetate 1030.26
    THF 1609.52
    2-butanone 977.8
    n-pentanol 227.4
    sec-butanol 374.62
    n-hexane 114.02
    ethylene glycol 48.78
    NMP 490.27
    cyclohexane 285.22
    DMSO 423.32
    n-butyl acetate 770.14
    n-octanol 98.06
    chloroform 3002.17
    n-propyl acetate 609.03
    acetic acid 333.64
    dichloromethane 2217.08
    cyclohexanone 1102.48
    propylene glycol 109.16
    isopropyl acetate 991.72
    DMAc 866.99
    2-ethoxyethanol 423.54
    isopentanol 462.41
    n-heptane 46.69
    ethyl formate 430.75
    1,2-dichloroethane 1643.29
    n-hexanol 341.79
    2-methoxyethanol 700.5
    isobutyl acetate 396.29
    tetrachloromethane 569.23
    n-pentyl acetate 328.65
    transcutol 2631.68
    n-heptanol 134.66
    ethylbenzene 548.68
    MIBK 586.51
    2-propoxyethanol 629.42
    tert-butanol 666.55
    MTBE 1333.8
    2-butoxyethanol 329.24
    propionic acid 342.73
    o-xylene 646.66
    formic acid 122.27
    diethyl ether 1498.71
    m-xylene 698.34
    p-xylene 683.63
    chlorobenzene 1104.39
    dimethyl carbonate 429.78
    n-octane 15.01
    formamide 320.58
    cyclopentanone 970.7
    2-pentanone 812.82
    anisole 1182.51
    cyclopentyl methyl ether 858.21
    gamma-butyrolactone 931.07
    1-methoxy-2-propanol 601.5
    pyridine 1563.65
    3-pentanone 757.33
    furfural 974.86
    n-dodecane 9.33
    diethylene glycol 331.67
    diisopropyl ether 485.24
    tert-amyl alcohol 564.94
    acetylacetone 985.84
    n-hexadecane 11.8
    acetophenone 771.13
    methyl propionate 864.63
    isopentyl acetate 765.63
    trichloroethylene 2855.92
    n-nonanol 101.83
    cyclohexanol 441.58
    benzyl alcohol 475.09
    2-ethylhexanol 214.52
    isooctanol 131.58
    dipropyl ether 449.72
    1,2-dichlorobenzene 1030.18
    ethyl lactate 206.57
    propylene carbonate 606.0
    n-methylformamide 457.26
    2-pentanol 367.68
    n-pentane 112.65
    1-propoxy-2-propanol 493.8
    1-methoxy-2-propyl acetate 1038.09
    2-(2-methoxypropoxy) propanol 474.7
    mesitylene 484.6
    ε-caprolactone 965.83
    p-cymene 236.28
    epichlorohydrin 1488.3
    1,1,1-trichloroethane 1978.65
    2-aminoethanol 174.23
    morpholine-4-carbaldehyde 961.21
    sulfolane 702.53
    2,2,4-trimethylpentane 66.98
    2-methyltetrahydrofuran 1208.4
    n-hexyl acetate 390.8
    isooctane 65.99
    2-(2-butoxyethoxy)ethanol 580.55
    sec-butyl acetate 578.75
    tert-butyl acetate 1070.87
    decalin 121.93
    glycerin 138.6
    diglyme 1289.81
    acrylic acid 267.97
    isopropyl myristate 184.45
    n-butyric acid 630.21
    acetyl acetate 821.44
    di(2-ethylhexyl) phthalate 175.45
    ethyl propionate 677.14
    nitromethane 813.41
    1,2-diethoxyethane 1128.17
    benzonitrile 624.06
    trioctyl phosphate 91.46
    1-bromopropane 958.15
    gamma-valerolactone 1347.13
    n-decanol 71.67
    triethyl phosphate 274.87
    4-methyl-2-pentanol 271.55
    propionitrile 648.83
    vinylene carbonate 624.5
    1,1,2-trichlorotrifluoroethane 754.48
    DMS 581.78
    cumene 326.96
    2-octanol 82.34
    2-hexanone 503.1
    octyl acetate 192.29
    limonene 286.8
    1,2-dimethoxyethane 1088.78
    ethyl orthosilicate 285.85
    tributyl phosphate 142.04
    diacetone alcohol 656.4
    N,N-dimethylaniline 629.5
    acrylonitrile 747.68
    aniline 967.47
    1,3-propanediol 295.19
    bromobenzene 1269.92
    dibromomethane 1478.99
    1,1,2,2-tetrachloroethane 2402.92
    2-methyl-cyclohexyl acetate 447.63
    tetrabutyl urea 152.39
    diisobutyl methanol 178.75
    2-phenylethanol 528.59
    styrene 706.46
    dioctyl adipate 272.56
    dimethyl sulfate 449.22
    ethyl butyrate 606.07
    methyl lactate 269.18
    butyl lactate 236.91
    diethyl carbonate 442.94
    propanediol butyl ether 236.99
    triethyl orthoformate 462.4
    p-tert-butyltoluene 256.06
    methyl 4-tert-butylbenzoate 491.64
    morpholine 2010.54
    tert-butylamine 521.95
    n-dodecanol 54.14
    dimethoxymethane 844.65
    ethylene carbonate 555.93
    cyrene 309.87
    2-ethoxyethyl acetate 659.68
    2-ethylhexyl acetate 623.43
    1,2,4-trichlorobenzene 1144.23
    4-methylpyridine 1479.97
    dibutyl ether 262.6
    2,6-dimethyl-4-heptanol 178.75
    DEF 891.21
    dimethyl isosorbide 886.19
    tetrachloroethylene 1483.83
    eugenol 407.52
    triacetin 508.92
    span 80 297.28
    1,4-butanediol 87.46
    1,1-dichloroethane 1705.38
    2-methyl-1-pentanol 265.09
    methyl formate 290.91
    2-methyl-1-butanol 374.52
    n-decane 17.71
    butyronitrile 587.57
    3,7-dimethyl-1-octanol 167.43
    1-chlorooctane 102.71
    1-chlorotetradecane 40.98
    n-nonane 16.0
    undecane 12.26
    tert-butylcyclohexane 106.73
    cyclooctane 86.43
    cyclopentanol 321.83
    tetrahydropyran 1806.91
    tert-amyl methyl ether 750.34
    2,5,8-trioxanonane 850.44
    1-hexene 320.71
    2-isopropoxyethanol 340.87
    2,2,2-trifluoroethanol 166.41
    methyl butyrate 692.22

    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