1,2,3-Naphthalenetriol, 4-(4,5-dihydroxy-3-methylene-1-pentenyl)decahydro-3,4a,8,8-tetramethyl-

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  • Identifiers

    CAS number
    114437-32-0

    Molecular formula
    C20H34O5

    SMILES
    CC1(CCCC2(C1C(C(C(C2C=CC(=C)C(CO)O)(C)O)O)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 48.04%
    Odorless 45.72%
    Sweet 36.79%
    Mint 31.72%
    Cooling 31.44%
    Spicy 30.44%
    Balsamic 25.35%
    Warm 23.68%
    Dry 23.55%
    Camphoreous 23.13%

     

    Flavor
    Bitter 61.03%
    Odorless 30.51%
    Sweet 26.54%
    Woody 23.44%
    Sweet-like 22.28%
    Cedarleaf 20.46%
    Herbal 20.41%
    Balsam 20.34%
    Clary 20.25%
    Mild 20.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.31 (neutral)

    Molecular weight
    354.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    727°C

    Flash point

    • 227.39 ˚C est.

  • Synonyms

    • DTXSID301117726
    • 1,2,3-Naphthalenetriol, 4-(4,5-dihydroxy-3-methylene-1-pentenyl)decahydro-3,4a,8,8-tetramethyl-
    • 114437-32-0
    • 4-(4,5-Dihydroxy-3-methylidenepent-1-en-1-yl)-3,4a,8,8-tetramethyldecahydronaphthalene-1,2,3-triol
    • 114437-32-0

  • Applications

    1,2,3-Naphthalenetriol, 4-(4,5-dihydroxy-3-methylene-1-pentenyl)decahydro-3,4a,8,8-tetramethyl- (CAS number: 114437-32-0) is primarily used as a fragrance-related intermediate and odorant in perfumery and cosmetics, where its polyhydroxylated, terpene-like structure can contribute to scent profiles and may serve as a fixative or scent precursor. It is also employed as a specialty intermediate in the synthesis of terpenoid-inspired materials for coatings and inks, as well as for polymers, providing a building block for functional formulations. In industrial manufacturing, it may act as a starting material for selective transformations in fragrance and material-development workflows, and as a research-grade precursor for developing new formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 46.58
    methanol 151.71
    isopropanol 8.64
    water 0.76
    ethyl acetate 6.39
    n-propanol 18.23
    acetone 12.93
    n-butanol 8.47
    acetonitrile 3.49
    DMF 75.39
    toluene 4.23
    isobutanol 7.4
    1,4-dioxane 39.96
    methyl acetate 5.29
    THF 143.89
    2-butanone 7.77
    n-pentanol 7.22
    sec-butanol 4.62
    n-hexane 0.38
    ethylene glycol 22.27
    NMP 75.65
    cyclohexane 0.55
    DMSO 163.09
    n-butyl acetate 6.29
    n-octanol 6.05
    chloroform 4.95
    n-propyl acetate 4.67
    acetic acid 45.39
    dichloromethane 4.96
    cyclohexanone 17.33
    propylene glycol 23.36
    isopropyl acetate 5.53
    DMAc 47.5
    2-ethoxyethanol 44.88
    isopentanol 6.1
    n-heptane 0.6
    ethyl formate 7.22
    1,2-dichloroethane 4.32
    n-hexanol 12.73
    2-methoxyethanol 105.73
    isobutyl acetate 3.82
    tetrachloromethane 1.31
    n-pentyl acetate 7.64
    transcutol 71.65
    n-heptanol 10.58
    ethylbenzene 2.4
    MIBK 8.64
    2-propoxyethanol 64.84
    tert-butanol 8.16
    MTBE 3.41
    2-butoxyethanol 35.83
    propionic acid 11.07
    o-xylene 3.3
    formic acid 73.85
    diethyl ether 5.68
    m-xylene 4.75
    p-xylene 2.45
    chlorobenzene 3.18
    dimethyl carbonate 10.12
    n-octane 0.3
    formamide 64.24
    cyclopentanone 38.99
    2-pentanone 8.71
    anisole 7.16
    cyclopentyl methyl ether 19.94
    gamma-butyrolactone 44.86
    1-methoxy-2-propanol 57.49
    pyridine 16.69
    3-pentanone 5.56
    furfural 37.94
    n-dodecane 0.15
    diethylene glycol 72.22
    diisopropyl ether 1.82
    tert-amyl alcohol 5.25
    acetylacetone 18.97
    n-hexadecane 0.17
    acetophenone 9.93
    methyl propionate 9.42
    isopentyl acetate 6.69
    trichloroethylene 10.03
    n-nonanol 6.12
    cyclohexanol 6.9
    benzyl alcohol 11.72
    2-ethylhexanol 5.4
    isooctanol 7.82
    dipropyl ether 5.44
    1,2-dichlorobenzene 3.48
    ethyl lactate 9.12
    propylene carbonate 14.37
    n-methylformamide 48.47
    2-pentanol 3.62
    n-pentane 0.38
    1-propoxy-2-propanol 30.69
    1-methoxy-2-propyl acetate 20.85
    2-(2-methoxypropoxy) propanol 23.31
    mesitylene 2.92
    ε-caprolactone 17.47
    p-cymene 3.03
    epichlorohydrin 43.21
    1,1,1-trichloroethane 1.98
    2-aminoethanol 45.81
    morpholine-4-carbaldehyde 76.17
    sulfolane 84.69
    2,2,4-trimethylpentane 0.28
    2-methyltetrahydrofuran 21.72
    n-hexyl acetate 9.16
    isooctane 0.31
    2-(2-butoxyethoxy)ethanol 38.27
    sec-butyl acetate 3.3
    tert-butyl acetate 9.37
    decalin 0.46
    glycerin 54.71
    diglyme 57.62
    acrylic acid 16.27
    isopropyl myristate 2.86
    n-butyric acid 12.28
    acetyl acetate 5.9
    di(2-ethylhexyl) phthalate 7.17
    ethyl propionate 4.59
    nitromethane 40.57
    1,2-diethoxyethane 10.53
    benzonitrile 5.09
    trioctyl phosphate 5.22
    1-bromopropane 1.77
    gamma-valerolactone 71.1
    n-decanol 3.81
    triethyl phosphate 4.54
    4-methyl-2-pentanol 3.84
    propionitrile 2.8
    vinylene carbonate 14.0
    1,1,2-trichlorotrifluoroethane 44.11
    DMS 8.34
    cumene 2.1
    2-octanol 4.55
    2-hexanone 5.76
    octyl acetate 4.74
    limonene 3.72
    1,2-dimethoxyethane 39.77
    ethyl orthosilicate 4.57
    tributyl phosphate 3.89
    diacetone alcohol 22.0
    N,N-dimethylaniline 7.48
    acrylonitrile 5.62
    aniline 7.9
    1,3-propanediol 39.35
    bromobenzene 2.56
    dibromomethane 2.95
    1,1,2,2-tetrachloroethane 7.79
    2-methyl-cyclohexyl acetate 7.83
    tetrabutyl urea 6.62
    diisobutyl methanol 3.47
    2-phenylethanol 15.19
    styrene 2.17
    dioctyl adipate 6.22
    dimethyl sulfate 23.84
    ethyl butyrate 5.06
    methyl lactate 19.48
    butyl lactate 13.38
    diethyl carbonate 3.03
    propanediol butyl ether 32.75
    triethyl orthoformate 5.65
    p-tert-butyltoluene 3.31
    methyl 4-tert-butylbenzoate 19.36
    morpholine 52.85
    tert-butylamine 2.71
    n-dodecanol 2.29
    dimethoxymethane 69.85
    ethylene carbonate 10.54
    cyrene 38.11
    2-ethoxyethyl acetate 15.25
    2-ethylhexyl acetate 4.84
    1,2,4-trichlorobenzene 4.96
    4-methylpyridine 9.74
    dibutyl ether 2.57
    2,6-dimethyl-4-heptanol 3.47
    DEF 12.66
    dimethyl isosorbide 45.42
    tetrachloroethylene 7.68
    eugenol 21.69
    triacetin 13.72
    span 80 23.39
    1,4-butanediol 14.05
    1,1-dichloroethane 1.8
    2-methyl-1-pentanol 5.41
    methyl formate 34.55
    2-methyl-1-butanol 5.46
    n-decane 0.34
    butyronitrile 2.84
    3,7-dimethyl-1-octanol 4.85
    1-chlorooctane 1.63
    1-chlorotetradecane 0.5
    n-nonane 0.31
    undecane 0.21
    tert-butylcyclohexane 0.42
    cyclooctane 0.36
    cyclopentanol 12.68
    tetrahydropyran 14.77
    tert-amyl methyl ether 3.71
    2,5,8-trioxanonane 41.17
    1-hexene 1.17
    2-isopropoxyethanol 22.13
    2,2,2-trifluoroethanol 13.6
    methyl butyrate 5.87

    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