3-Cyclopentene-1-butanal, alpha,2,2,3-tetramethyl-gamma-methylene-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    166432-53-7

    Molecular formula
    C14H22O

    SMILES
    CC1=CCC(C1(C)C)C(=C)CC(C)C=O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 77.97%
    Sandalwood 43.09%
    Amber 38.6%
    Dry 37.8%
    Orris 33.02%
    Waxy 32.51%
    Vetiver 32.27%
    Citrus 31.09%
    Oily 30.93%
    Sweet 29.65%

     

    Flavor
    Woody 62.04%
    Herbal 49.32%
    Floral 38.46%
    Wood 34.82%
    Herb 31.79%
    Green 30.17%
    Citrus 29.0%
    Spice 28.43%
    Fresh 28.2%
    Spicy 27.06%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.96 (neutral)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    264°C

    Flash point

    • 107.89 ˚C est.

  • Synonyms

    • 166432-53-7
    • 3-Cyclopentene-1-butanal, alpha,2,2,3-tetramethyl-gamma-methylene-
    • DTXSID60888760
    • 3-Cyclopentene-1-butanal, .alpha.,2,2,3-tetramethyl-.gamma.-methylene-
    • 2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal
    • SCHEMBL687869
    • IECMPAIBUCFZDR-UHFFFAOYSA-N
    • DTXCID201028035

  • Applications

    3-Cyclopentene-1-butanal, alpha,2,2,3-tetramethyl-gamma-methylene- (CAS 166432-53-7) is primarily used as an intermediate in organic synthesis, providing a versatile building block for derivatization to additional cyclopentene-containing aldehydes, alcohols, or alkenes. In practice, it may be evaluated for use in fragrance and flavor chemistry as an aroma precursor or component in perfumery and related formulations; in cosmetics and personal care as a synthetic intermediate for fragrance ingredients; in coatings, inks, and adhesives as a reactive aldehyde building block; and in polymers/plastics as a precursor for specialty materials. It may also find roles in cleaning and household product formulations as a fragrance-related ingredient.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1632.49
    methanol 1299.65
    isopropanol 1717.24
    water 1.69
    ethyl acetate 2559.05
    n-propanol 1584.56
    acetone 1888.67
    n-butanol 1457.86
    acetonitrile 1699.23
    DMF 1917.83
    toluene 1866.35
    isobutanol 1167.96
    1,4-dioxane 3250.51
    methyl acetate 1690.15
    THF 3921.56
    2-butanone 1986.55
    n-pentanol 688.82
    sec-butanol 1328.73
    n-hexane 167.29
    ethylene glycol 143.06
    NMP 1110.36
    cyclohexane 316.52
    DMSO 864.09
    n-butyl acetate 1465.23
    n-octanol 316.0
    chloroform 4667.1
    n-propyl acetate 1109.26
    acetic acid 713.01
    dichloromethane 3416.89
    cyclohexanone 2075.4
    propylene glycol 302.58
    isopropyl acetate 1807.24
    DMAc 1290.5
    2-ethoxyethanol 938.24
    isopentanol 1353.71
    n-heptane 86.45
    ethyl formate 1076.8
    1,2-dichloroethane 2156.83
    n-hexanol 1104.74
    2-methoxyethanol 1621.9
    isobutyl acetate 729.23
    tetrachloromethane 1028.03
    n-pentyl acetate 655.46
    transcutol 3836.97
    n-heptanol 407.58
    ethylbenzene 768.25
    MIBK 1186.74
    2-propoxyethanol 1513.28
    tert-butanol 2155.25
    MTBE 2714.61
    2-butoxyethanol 726.73
    propionic acid 758.85
    o-xylene 896.66
    formic acid 248.39
    diethyl ether 2330.05
    m-xylene 1124.15
    p-xylene 952.25
    chlorobenzene 1715.34
    dimethyl carbonate 651.8
    n-octane 30.1
    formamide 550.58
    cyclopentanone 2181.9
    2-pentanone 1797.45
    anisole 1530.88
    cyclopentyl methyl ether 1687.13
    gamma-butyrolactone 2207.77
    1-methoxy-2-propanol 1634.55
    pyridine 2481.6
    3-pentanone 1242.49
    furfural 1737.47
    n-dodecane 17.76
    diethylene glycol 755.82
    diisopropyl ether 775.09
    tert-amyl alcohol 1532.87
    acetylacetone 1643.63
    n-hexadecane 21.7
    acetophenone 1024.34
    methyl propionate 1434.32
    isopentyl acetate 1331.96
    trichloroethylene 4032.9
    n-nonanol 273.88
    cyclohexanol 1089.82
    benzyl alcohol 878.11
    2-ethylhexanol 542.61
    isooctanol 361.15
    dipropyl ether 761.7
    1,2-dichlorobenzene 1340.18
    ethyl lactate 395.5
    propylene carbonate 1277.4
    n-methylformamide 1011.98
    2-pentanol 1080.35
    n-pentane 192.96
    1-propoxy-2-propanol 1147.19
    1-methoxy-2-propyl acetate 1536.8
    2-(2-methoxypropoxy) propanol 668.94
    mesitylene 669.47
    ε-caprolactone 1732.5
    p-cymene 368.96
    epichlorohydrin 3059.03
    1,1,1-trichloroethane 3047.89
    2-aminoethanol 493.21
    morpholine-4-carbaldehyde 1777.53
    sulfolane 1409.81
    2,2,4-trimethylpentane 117.04
    2-methyltetrahydrofuran 2782.93
    n-hexyl acetate 837.85
    isooctane 122.4
    2-(2-butoxyethoxy)ethanol 962.17
    sec-butyl acetate 948.3
    tert-butyl acetate 1618.15
    decalin 152.12
    glycerin 349.2
    diglyme 1832.43
    acrylic acid 525.76
    isopropyl myristate 306.59
    n-butyric acid 1479.68
    acetyl acetate 1153.95
    di(2-ethylhexyl) phthalate 285.61
    ethyl propionate 1021.38
    nitromethane 1365.06
    1,2-diethoxyethane 1505.24
    benzonitrile 1236.62
    trioctyl phosphate 180.58
    1-bromopropane 1600.01
    gamma-valerolactone 2451.6
    n-decanol 185.34
    triethyl phosphate 337.7
    4-methyl-2-pentanol 713.87
    propionitrile 1612.86
    vinylene carbonate 1157.36
    1,1,2-trichlorotrifluoroethane 1267.48
    DMS 800.97
    cumene 498.84
    2-octanol 264.71
    2-hexanone 941.96
    octyl acetate 348.17
    limonene 452.96
    1,2-dimethoxyethane 1765.61
    ethyl orthosilicate 352.16
    tributyl phosphate 247.87
    diacetone alcohol 1196.14
    N,N-dimethylaniline 845.24
    acrylonitrile 1574.27
    aniline 1735.43
    1,3-propanediol 813.99
    bromobenzene 1807.86
    dibromomethane 2370.98
    1,1,2,2-tetrachloroethane 3015.05
    2-methyl-cyclohexyl acetate 646.06
    tetrabutyl urea 268.43
    diisobutyl methanol 365.82
    2-phenylethanol 963.8
    styrene 956.27
    dioctyl adipate 388.87
    dimethyl sulfate 664.78
    ethyl butyrate 948.7
    methyl lactate 525.05
    butyl lactate 477.74
    diethyl carbonate 614.04
    propanediol butyl ether 605.87
    triethyl orthoformate 596.36
    p-tert-butyltoluene 403.08
    methyl 4-tert-butylbenzoate 721.17
    morpholine 3632.86
    tert-butylamine 1602.57
    n-dodecanol 131.61
    dimethoxymethane 1657.08
    ethylene carbonate 1048.41
    cyrene 542.58
    2-ethoxyethyl acetate 1026.5
    2-ethylhexyl acetate 983.09
    1,2,4-trichlorobenzene 1512.2
    4-methylpyridine 2698.71
    dibutyl ether 504.24
    2,6-dimethyl-4-heptanol 365.82
    DEF 1470.08
    dimethyl isosorbide 1213.52
    tetrachloroethylene 1942.86
    eugenol 644.66
    triacetin 715.12
    span 80 499.15
    1,4-butanediol 255.11
    1,1-dichloroethane 2955.91
    2-methyl-1-pentanol 696.5
    methyl formate 755.03
    2-methyl-1-butanol 1108.07
    n-decane 37.56
    butyronitrile 1636.34
    3,7-dimethyl-1-octanol 424.31
    1-chlorooctane 243.63
    1-chlorotetradecane 75.33
    n-nonane 36.78
    undecane 24.35
    tert-butylcyclohexane 157.7
    cyclooctane 102.56
    cyclopentanol 1009.94
    tetrahydropyran 3252.86
    tert-amyl methyl ether 1426.56
    2,5,8-trioxanonane 1041.54
    1-hexene 604.23
    2-isopropoxyethanol 716.78
    2,2,2-trifluoroethanol 327.14
    methyl butyrate 1215.8

    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