Trichodiol

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  • Identifiers

    CAS number
    40522-81-4

    Molecular formula
    C15H24O3

    SMILES
    C[C@@]1(CC[C@@](C=C1)(C)O)[C@]2(CC[C@H]([C@@]23CO3)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 60.98%
    Sweet 36.59%
    Balsamic 36.23%
    Amber 34.44%
    Spicy 30.51%
    Dry 30.32%
    Earthy 29.99%
    Musk 28.74%
    Floral 28.42%
    Mint 28.01%

     

    Flavor
    Minty 42.0%
    Herbal 35.32%
    Earthy 33.86%
    Bitter 32.69%
    Camphor 30.62%
    Woody 28.0%
    Earth 27.68%
    Fresh 26.92%
    Pine 25.72%
    Spicy 23.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.11 (neutral)

    Molecular weight
    252.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    444°C

    Flash point

    • 157.75 ˚C est.

  • Synonyms

    • Trichodiol
    • 5DKB6A2U8X
    • 40522-81-4
    • RefChem:1100343
    • 40522-81-4

  • Applications

    Trichodiol (CAS 40522-81-4) can be viewed as a triol used as a synthetic building block, a crosslinking agent for polymers, resins, and coatings, and as a polyol or plasticizer component in polymer formulations; it is also evaluated as a humectant or emollient in cosmetics and personal care; due to its solubility and multiple hydroxyl groups, it can function as a solvent or co-solvent in industrial formulations, and it may serve as an adhesive formulation ingredient in certain composite systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 172.55
    methanol 273.97
    isopropanol 128.94
    water 2.17
    ethyl acetate 121.74
    n-propanol 118.27
    acetone 180.52
    n-butanol 97.23
    acetonitrile 114.89
    DMF 313.75
    toluene 49.03
    isobutanol 70.0
    1,4-dioxane 241.08
    methyl acetate 106.17
    THF 440.81
    2-butanone 111.43
    n-pentanol 46.88
    sec-butanol 59.44
    n-hexane 2.09
    ethylene glycol 78.72
    NMP 89.88
    cyclohexane 5.57
    DMSO 247.6
    n-butyl acetate 51.29
    n-octanol 28.1
    chloroform 200.22
    n-propyl acetate 55.03
    acetic acid 101.79
    dichloromethane 141.14
    cyclohexanone 105.72
    propylene glycol 70.24
    isopropyl acetate 95.98
    DMAc 172.07
    2-ethoxyethanol 151.21
    isopentanol 76.75
    n-heptane 2.78
    ethyl formate 63.13
    1,2-dichloroethane 92.74
    n-hexanol 59.51
    2-methoxyethanol 316.44
    isobutyl acetate 43.91
    tetrachloromethane 32.15
    n-pentyl acetate 38.97
    transcutol 257.32
    n-heptanol 36.9
    ethylbenzene 25.85
    MIBK 86.7
    2-propoxyethanol 177.72
    tert-butanol 135.25
    MTBE 87.98
    2-butoxyethanol 88.86
    propionic acid 63.81
    o-xylene 31.34
    formic acid 117.76
    diethyl ether 103.81
    m-xylene 41.6
    p-xylene 32.65
    chlorobenzene 52.42
    dimethyl carbonate 86.3
    n-octane 1.66
    formamide 207.5
    cyclopentanone 159.08
    2-pentanone 110.62
    anisole 78.68
    cyclopentyl methyl ether 94.63
    gamma-butyrolactone 145.79
    1-methoxy-2-propanol 250.11
    pyridine 108.47
    3-pentanone 76.57
    furfural 130.24
    n-dodecane 1.57
    diethylene glycol 198.85
    diisopropyl ether 31.85
    tert-amyl alcohol 66.57
    acetylacetone 164.23
    n-hexadecane 1.85
    acetophenone 69.64
    methyl propionate 103.77
    isopentyl acetate 55.19
    trichloroethylene 167.26
    n-nonanol 29.3
    cyclohexanol 51.86
    benzyl alcohol 63.42
    2-ethylhexanol 29.41
    isooctanol 30.65
    dipropyl ether 35.07
    1,2-dichlorobenzene 51.7
    ethyl lactate 47.9
    propylene carbonate 77.95
    n-methylformamide 166.08
    2-pentanol 54.61
    n-pentane 3.56
    1-propoxy-2-propanol 100.78
    1-methoxy-2-propyl acetate 108.81
    2-(2-methoxypropoxy) propanol 80.52
    mesitylene 27.9
    ε-caprolactone 88.14
    p-cymene 18.76
    epichlorohydrin 182.88
    1,1,1-trichloroethane 85.33
    2-aminoethanol 117.8
    morpholine-4-carbaldehyde 162.5
    sulfolane 140.2
    2,2,4-trimethylpentane 2.82
    2-methyltetrahydrofuran 122.58
    n-hexyl acetate 46.9
    isooctane 3.45
    2-(2-butoxyethoxy)ethanol 108.7
    sec-butyl acetate 47.09
    tert-butyl acetate 102.02
    decalin 4.02
    glycerin 129.79
    diglyme 185.17
    acrylic acid 65.46
    isopropyl myristate 23.79
    n-butyric acid 87.48
    acetyl acetate 96.87
    di(2-ethylhexyl) phthalate 26.25
    ethyl propionate 61.23
    nitromethane 209.27
    1,2-diethoxyethane 75.71
    benzonitrile 58.92
    trioctyl phosphate 20.85
    1-bromopropane 41.35
    gamma-valerolactone 194.8
    n-decanol 21.7
    triethyl phosphate 30.4
    4-methyl-2-pentanol 48.52
    propionitrile 84.22
    vinylene carbonate 85.62
    1,1,2-trichlorotrifluoroethane 149.98
    DMS 57.28
    cumene 20.18
    2-octanol 22.68
    2-hexanone 52.02
    octyl acetate 27.89
    limonene 20.49
    1,2-dimethoxyethane 211.08
    ethyl orthosilicate 29.6
    tributyl phosphate 20.86
    diacetone alcohol 119.93
    N,N-dimethylaniline 50.38
    acrylonitrile 105.41
    aniline 73.85
    1,3-propanediol 162.46
    bromobenzene 50.76
    dibromomethane 86.13
    1,1,2,2-tetrachloroethane 131.16
    2-methyl-cyclohexyl acetate 40.85
    tetrabutyl urea 29.81
    diisobutyl methanol 24.37
    2-phenylethanol 71.27
    styrene 28.57
    dioctyl adipate 30.33
    dimethyl sulfate 114.62
    ethyl butyrate 44.22
    methyl lactate 84.77
    butyl lactate 40.72
    diethyl carbonate 36.64
    propanediol butyl ether 74.36
    triethyl orthoformate 37.98
    p-tert-butyltoluene 19.74
    methyl 4-tert-butylbenzoate 63.57
    morpholine 227.28
    tert-butylamine 62.61
    n-dodecanol 15.97
    dimethoxymethane 319.89
    ethylene carbonate 75.16
    cyrene 78.93
    2-ethoxyethyl acetate 72.85
    2-ethylhexyl acetate 39.3
    1,2,4-trichlorobenzene 57.38
    4-methylpyridine 95.7
    dibutyl ether 22.09
    2,6-dimethyl-4-heptanol 24.37
    DEF 84.41
    dimethyl isosorbide 118.23
    tetrachloroethylene 88.87
    eugenol 66.1
    triacetin 62.89
    span 80 55.58
    1,4-butanediol 51.7
    1,1-dichloroethane 98.15
    2-methyl-1-pentanol 38.58
    methyl formate 117.77
    2-methyl-1-butanol 53.87
    n-decane 2.76
    butyronitrile 73.78
    3,7-dimethyl-1-octanol 29.44
    1-chlorooctane 12.98
    1-chlorotetradecane 5.76
    n-nonane 2.2
    undecane 2.02
    tert-butylcyclohexane 3.94
    cyclooctane 2.82
    cyclopentanol 67.84
    tetrahydropyran 137.17
    tert-amyl methyl ether 51.46
    2,5,8-trioxanonane 127.55
    1-hexene 9.43
    2-isopropoxyethanol 95.75
    2,2,2-trifluoroethanol 68.67
    methyl butyrate 64.46

    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