Caparratriene

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  • Identifiers

    CAS number
    172549-29-0

    Molecular formula
    C15H26

    SMILES
    C/C=C(\C)/C=C/C[C@H](C)CCC=C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 72.9%
    Herbal 59.03%
    Citrus 52.74%
    Woody 49.55%
    Balsamic 46.43%
    Sweet 44.1%
    Fresh 42.29%
    Green 40.19%
    Tropical 39.45%
    Lemon 38.66%

     

    Flavor
    Citrus 48.54%
    Balsam 42.09%
    Wood 38.39%
    Sweet 37.57%
    Balsamic 33.77%
    Woody 33.38%
    Herbal 30.77%
    Herb 29.31%
    Floral 27.57%
    Spicy 26.82%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    10.11 (weak base)

    Molecular weight
    206.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 101.89 ˚C est.

  • Synonyms

    • Caparratriene
    • 172549-29-0
    • 3,7,11-Trimethyl-2,4,10-dodecatriene
    • (2E,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene
    • RefChem:917980
    • CHEMBL499267
    • orb1739240
    • 2,4,10-Dodecatriene, 3,7,11-trimethyl-,(2E,4E,7R)-
    • 172549-29-0

  • Applications

    Caparratriene (CAS 172549-29-0) is typically considered an odorant component in fragrances and may be evaluated for flavor and fragrance applications, while also potentially serving as an ingredient in cosmetics and personal care formulations. In household products, it can help shape the scent profile of cleaners and air fresheners; in industrial manufacturing, it may act as an intermediate or processing aid; in coatings and inks, it can function as a solvent or additive; and in polymers/plastics, it may be used as an additive or precursor in formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 276.83
    methanol 97.24
    isopropanol 251.53
    water 0.01
    ethyl acetate 859.25
    n-propanol 272.24
    acetone 284.69
    n-butanol 450.68
    acetonitrile 140.55
    DMF 92.96
    toluene 969.64
    isobutanol 215.75
    1,4-dioxane 1307.44
    methyl acetate 302.91
    THF 2013.42
    2-butanone 531.66
    n-pentanol 388.15
    sec-butanol 399.26
    n-hexane 1342.11
    ethylene glycol 6.32
    NMP 162.71
    cyclohexane 1450.66
    DMSO 147.7
    n-butyl acetate 1960.45
    n-octanol 374.62
    chloroform 1007.4
    n-propyl acetate 587.33
    acetic acid 66.67
    dichloromethane 796.79
    cyclohexanone 749.32
    propylene glycol 28.61
    isopropyl acetate 737.88
    DMAc 208.84
    2-ethoxyethanol 264.48
    isopentanol 499.35
    n-heptane 1755.9
    ethyl formate 140.14
    1,2-dichloroethane 620.08
    n-hexanol 1048.73
    2-methoxyethanol 247.73
    isobutyl acetate 486.8
    tetrachloromethane 235.62
    n-pentyl acetate 585.4
    transcutol 1950.57
    n-heptanol 368.85
    ethylbenzene 616.2
    MIBK 557.38
    2-propoxyethanol 690.74
    tert-butanol 478.76
    MTBE 1799.54
    2-butoxyethanol 355.93
    propionic acid 77.79
    o-xylene 485.72
    formic acid 6.55
    diethyl ether 2212.09
    m-xylene 620.56
    p-xylene 590.09
    chlorobenzene 409.05
    dimethyl carbonate 51.0
    n-octane 350.66
    formamide 11.05
    cyclopentanone 457.47
    2-pentanone 690.9
    anisole 644.05
    cyclopentyl methyl ether 1238.01
    gamma-butyrolactone 267.42
    1-methoxy-2-propanol 292.96
    pyridine 721.55
    3-pentanone 512.44
    furfural 216.6
    n-dodecane 145.89
    diethylene glycol 138.74
    diisopropyl ether 1094.62
    tert-amyl alcohol 598.31
    acetylacetone 419.05
    n-hexadecane 175.3
    acetophenone 330.87
    methyl propionate 302.96
    isopentyl acetate 1709.06
    trichloroethylene 707.07
    n-nonanol 394.67
    cyclohexanol 511.44
    benzyl alcohol 195.48
    2-ethylhexanol 1201.12
    isooctanol 341.28
    dipropyl ether 3517.14
    1,2-dichlorobenzene 349.5
    ethyl lactate 98.9
    propylene carbonate 213.21
    n-methylformamide 32.58
    2-pentanol 494.21
    n-pentane 773.68
    1-propoxy-2-propanol 906.36
    1-methoxy-2-propyl acetate 1031.17
    2-(2-methoxypropoxy) propanol 505.4
    mesitylene 447.43
    ε-caprolactone 626.63
    p-cymene 630.3
    epichlorohydrin 623.19
    1,1,1-trichloroethane 762.5
    2-aminoethanol 29.6
    morpholine-4-carbaldehyde 308.26
    sulfolane 254.79
    2,2,4-trimethylpentane 351.8
    2-methyltetrahydrofuran 1951.01
    n-hexyl acetate 853.55
    isooctane 300.02
    2-(2-butoxyethoxy)ethanol 621.48
    sec-butyl acetate 665.22
    tert-butyl acetate 960.61
    decalin 560.39
    glycerin 28.93
    diglyme 1217.49
    acrylic acid 32.41
    isopropyl myristate 486.23
    n-butyric acid 308.17
    acetyl acetate 329.36
    di(2-ethylhexyl) phthalate 243.73
    ethyl propionate 514.21
    nitromethane 82.4
    1,2-diethoxyethane 2644.01
    benzonitrile 256.58
    trioctyl phosphate 167.29
    1-bromopropane 1202.72
    gamma-valerolactone 488.33
    n-decanol 293.65
    triethyl phosphate 358.99
    4-methyl-2-pentanol 350.32
    propionitrile 214.94
    vinylene carbonate 140.13
    1,1,2-trichlorotrifluoroethane 185.83
    DMS 264.14
    cumene 420.8
    2-octanol 286.18
    2-hexanone 742.07
    octyl acetate 475.63
    limonene 1243.17
    1,2-dimethoxyethane 962.42
    ethyl orthosilicate 492.03
    tributyl phosphate 233.98
    diacetone alcohol 442.46
    N,N-dimethylaniline 444.44
    acrylonitrile 109.33
    aniline 339.77
    1,3-propanediol 93.87
    bromobenzene 590.45
    dibromomethane 807.93
    1,1,2,2-tetrachloroethane 758.5
    2-methyl-cyclohexyl acetate 933.87
    tetrabutyl urea 289.16
    diisobutyl methanol 657.89
    2-phenylethanol 446.52
    styrene 599.69
    dioctyl adipate 502.32
    dimethyl sulfate 55.16
    ethyl butyrate 1426.68
    methyl lactate 58.89
    butyl lactate 213.4
    diethyl carbonate 594.94
    propanediol butyl ether 191.02
    triethyl orthoformate 1049.82
    p-tert-butyltoluene 640.44
    methyl 4-tert-butylbenzoate 389.51
    morpholine 1324.79
    tert-butylamine 557.41
    n-dodecanol 234.93
    dimethoxymethane 289.53
    ethylene carbonate 159.75
    cyrene 189.51
    2-ethoxyethyl acetate 658.22
    2-ethylhexyl acetate 1709.43
    1,2,4-trichlorobenzene 383.67
    4-methylpyridine 758.27
    dibutyl ether 1855.86
    2,6-dimethyl-4-heptanol 657.89
    DEF 472.5
    dimethyl isosorbide 848.72
    tetrachloroethylene 403.16
    eugenol 247.41
    triacetin 419.21
    span 80 429.09
    1,4-butanediol 31.59
    1,1-dichloroethane 621.45
    2-methyl-1-pentanol 506.13
    methyl formate 22.76
    2-methyl-1-butanol 432.03
    n-decane 320.53
    butyronitrile 452.34
    3,7-dimethyl-1-octanol 561.53
    1-chlorooctane 673.1
    1-chlorotetradecane 250.29
    n-nonane 365.57
    undecane 203.83
    tert-butylcyclohexane 509.05
    cyclooctane 699.81
    cyclopentanol 258.08
    tetrahydropyran 2639.8
    tert-amyl methyl ether 1438.87
    2,5,8-trioxanonane 810.88
    1-hexene 1952.91
    2-isopropoxyethanol 286.11
    2,2,2-trifluoroethanol 10.56
    methyl butyrate 540.19

    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