(+/-) trans-3,3-Dimethyl-5-(2,2,3-trimethyl-cyclopent-3-en-1-yl)pent-4-en-2-ol

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  • Identifiers

    CAS number
    107898-54-4

    Molecular formula
    C15H26O

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 87.18%
    Sandalwood 52.89%
    Herbal 49.49%
    Vetiver 41.05%
    Amber 39.82%
    Dry 38.39%
    Balsamic 34.56%
    Pine 33.55%
    Spicy 32.9%
    Cedar 31.79%

     

    Flavor
    Woody 73.1%
    Green 42.16%
    Herbal 40.16%
    Wood 39.67%
    Citrus 38.73%
    Sweet 37.53%
    Floral 31.79%
    Herb 31.47%
    Lavender 30.37%
    Pine 30.01%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.14 (weak base)

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    275°C

    Flash point

    • 117.06 ˚C est.

  • Synonyms

    • 107898-54-4
    • 3,3-DIMETHYL-5-(2,2,3-TRIMETHYL-3-CYCLOPENTEN-1-YL)-4-PENTEN-2-OL
    • 4-Penten-2-ol, 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
    • EC 411-580-3
    • (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
    • (+/-) trans-3,3-dimethyl-5-(2,2,3-trimethyl-cyclopent-3-en-1-yl)pent-4-en-2-ol
    • 244626-73-1
    • DTXSID7051551
    • SCHEMBL238074
    • DTXCID1030103
    • QZFSNJAQFWEXEA-MDZDMXLPSA-N
    • DTXSID401021085
    • AKOS015900947
    • NS00077606
    • 4-aPenten-a2-aol, 3,a3-adimethyl-a5-a(2,a2,a3-atrimethyl-a3-acyclopenten-a1-ayl)a-a, (4E)a-
    • 411-580-3
    • 600-853-4
    • Polysantol

  • Applications

    CAS 107898-54-4, (+/-) trans-3,3-Dimethyl-5-(2,2,3-trimethyl-cyclopent-3-en-1-yl)pent-4-en-2-ol is used primarily as a fragrance ingredient and odorant in perfumery and cosmetics, where its bulky terpenoid structure contributes to distinctive scent notes and it may act as a fixative in fragrance blends. It may be formulated into cosmetics and household products to provide fragrance. As a terpenoid compound, it is often evaluated as an intermediate in fragrance chemistry for synthesizing more complex aroma molecules. In industrial contexts, it may be considered for specialty aroma applications in plastics or coatings and for fragrance release systems, depending on regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 378.25
    methanol 265.18
    isopropanol 372.0
    water 1.77
    ethyl acetate 742.13
    n-propanol 345.83
    acetone 441.03
    n-butanol 377.29
    acetonitrile 361.69
    DMF 551.9
    toluene 600.89
    isobutanol 266.3
    1,4-dioxane 1134.23
    methyl acetate 546.33
    THF 1202.05
    2-butanone 535.89
    n-pentanol 245.4
    sec-butanol 377.75
    n-hexane 163.84
    ethylene glycol 43.84
    NMP 392.39
    cyclohexane 214.88
    DMSO 277.93
    n-butyl acetate 498.74
    n-octanol 213.5
    chloroform 1255.92
    n-propyl acetate 375.35
    acetic acid 237.27
    dichloromethane 827.21
    cyclohexanone 541.47
    propylene glycol 105.35
    isopropyl acetate 623.99
    DMAc 684.7
    2-ethoxyethanol 379.9
    isopentanol 377.04
    n-heptane 114.42
    ethyl formate 256.49
    1,2-dichloroethane 489.19
    n-hexanol 419.26
    2-methoxyethanol 509.54
    isobutyl acetate 304.09
    tetrachloromethane 352.24
    n-pentyl acetate 321.68
    transcutol 1546.38
    n-heptanol 243.53
    ethylbenzene 420.31
    MIBK 425.69
    2-propoxyethanol 592.47
    tert-butanol 595.31
    MTBE 988.32
    2-butoxyethanol 413.26
    propionic acid 233.92
    o-xylene 414.83
    formic acid 85.08
    diethyl ether 795.09
    m-xylene 487.01
    p-xylene 549.46
    chlorobenzene 486.05
    dimethyl carbonate 247.08
    n-octane 44.41
    formamide 202.48
    cyclopentanone 537.62
    2-pentanone 475.39
    anisole 707.9
    cyclopentyl methyl ether 611.13
    gamma-butyrolactone 496.32
    1-methoxy-2-propanol 529.5
    pyridine 721.12
    3-pentanone 420.75
    furfural 521.87
    n-dodecane 27.95
    diethylene glycol 274.81
    diisopropyl ether 398.43
    tert-amyl alcohol 550.68
    acetylacetone 580.13
    n-hexadecane 32.7
    acetophenone 482.94
    methyl propionate 475.62
    isopentyl acetate 534.68
    trichloroethylene 965.56
    n-nonanol 218.53
    cyclohexanol 326.62
    benzyl alcohol 338.19
    2-ethylhexanol 302.25
    isooctanol 225.17
    dipropyl ether 459.09
    1,2-dichlorobenzene 491.27
    ethyl lactate 174.14
    propylene carbonate 403.7
    n-methylformamide 240.97
    2-pentanol 345.57
    n-pentane 150.28
    1-propoxy-2-propanol 508.92
    1-methoxy-2-propyl acetate 687.02
    2-(2-methoxypropoxy) propanol 525.98
    mesitylene 374.23
    ε-caprolactone 542.73
    p-cymene 252.23
    epichlorohydrin 643.6
    1,1,1-trichloroethane 812.51
    2-aminoethanol 142.79
    morpholine-4-carbaldehyde 729.96
    sulfolane 452.01
    2,2,4-trimethylpentane 111.65
    2-methyltetrahydrofuran 876.47
    n-hexyl acetate 450.27
    isooctane 102.51
    2-(2-butoxyethoxy)ethanol 597.61
    sec-butyl acetate 401.92
    tert-butyl acetate 719.11
    decalin 154.53
    glycerin 125.4
    diglyme 1070.76
    acrylic acid 176.31
    isopropyl myristate 231.05
    n-butyric acid 380.96
    acetyl acetate 517.48
    di(2-ethylhexyl) phthalate 203.13
    ethyl propionate 411.54
    nitromethane 418.04
    1,2-diethoxyethane 698.13
    benzonitrile 369.36
    trioctyl phosphate 129.02
    1-bromopropane 425.86
    gamma-valerolactone 764.22
    n-decanol 163.24
    triethyl phosphate 245.0
    4-methyl-2-pentanol 284.22
    propionitrile 347.79
    vinylene carbonate 380.66
    1,1,2-trichlorotrifluoroethane 473.61
    DMS 396.96
    cumene 308.42
    2-octanol 166.99
    2-hexanone 371.7
    octyl acetate 255.68
    limonene 308.02
    1,2-dimethoxyethane 800.26
    ethyl orthosilicate 264.42
    tributyl phosphate 155.49
    diacetone alcohol 534.27
    N,N-dimethylaniline 533.92
    acrylonitrile 349.36
    aniline 492.65
    1,3-propanediol 232.23
    bromobenzene 561.04
    dibromomethane 597.83
    1,1,2,2-tetrachloroethane 908.84
    2-methyl-cyclohexyl acetate 403.24
    tetrabutyl urea 181.34
    diisobutyl methanol 228.38
    2-phenylethanol 408.85
    styrene 459.99
    dioctyl adipate 301.33
    dimethyl sulfate 300.19
    ethyl butyrate 447.99
    methyl lactate 219.6
    butyl lactate 238.16
    diethyl carbonate 344.18
    propanediol butyl ether 311.01
    triethyl orthoformate 394.04
    p-tert-butyltoluene 281.02
    methyl 4-tert-butylbenzoate 498.93
    morpholine 1091.37
    tert-butylamine 511.56
    n-dodecanol 121.09
    dimethoxymethane 556.07
    ethylene carbonate 327.96
    cyrene 305.49
    2-ethoxyethyl acetate 478.53
    2-ethylhexyl acetate 444.39
    1,2,4-trichlorobenzene 545.01
    4-methylpyridine 764.65
    dibutyl ether 323.03
    2,6-dimethyl-4-heptanol 228.38
    DEF 509.59
    dimethyl isosorbide 763.23
    tetrachloroethylene 581.55
    eugenol 385.52
    triacetin 470.22
    span 80 399.36
    1,4-butanediol 83.26
    1,1-dichloroethane 654.98
    2-methyl-1-pentanol 289.69
    methyl formate 152.68
    2-methyl-1-butanol 334.6
    n-decane 53.91
    butyronitrile 380.07
    3,7-dimethyl-1-octanol 284.61
    1-chlorooctane 177.98
    1-chlorotetradecane 75.82
    n-nonane 51.38
    undecane 36.72
    tert-butylcyclohexane 159.6
    cyclooctane 116.63
    cyclopentanol 251.13
    tetrahydropyran 954.21
    tert-amyl methyl ether 678.56
    2,5,8-trioxanonane 761.84
    1-hexene 334.31
    2-isopropoxyethanol 332.5
    2,2,2-trifluoroethanol 124.06
    methyl butyrate 433.55

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.031 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.63 %
Category 2
Products applied to the axillae
 0.057 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.63 %
Category 3
Products applied to the face/body using fingertips
 0.25 % Category 8
Products with significant anogenital exposure
 0.091 %
Category 4
Products related to fine fragrance
 1.1 % Category 9
Products with body and hand exposure, primarily rinse off
 1.7 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.27 % Category 10A
Household care products with mostly hand contact
 1.7 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.27 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 4 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.27 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.091 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.091 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.091 %
Category 6
Products with oral and lip exposure
 0.031 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction