CID 10682256

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  • Identifiers

    CAS number
    185307-44-2

    Molecular formula
    C15H24O3

    SMILES
    CC1=C2C(=O)[C@@H](CC[C@]2([C@@H](C[C@H]1O)O)C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Mint 57.14%
    Woody 54.3%
    Camphoreous 48.53%
    Herbal 47.42%
    Sweet 44.16%
    Cooling 43.1%
    Spicy 38.96%
    Phenolic 31.86%
    Earthy 29.51%
    Pine 27.01%

     

    Flavor
    Bitter 62.47%
    Minty 38.5%
    Herbal 26.34%
    Cedarleaf 21.66%
    Leaves 21.61%
    Lovage 20.31%
    Ripe apricot 20.26%
    Basil 20.2%
    Red fruit 19.94%
    Spearmint 19.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.33 (weak base)

    Molecular weight
    252.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    477°C

    Flash point

    • 157.42 ˚C est.

  • Synonyms

    • Acorusdiol
    • CHEBI:174334
    • DTXSID001112115
    • 185307-44-2
    • (2S,4aR,5R,7R)-3,4,4a,5,6,7-Hexahydro-5,7-dihydroxy-4a,8-dimethyl-2-(1-methylethyl)-1(2H)-naphthalenone
    • (2S,4aR,5R,7R)-5,7-Dihydroxy-4a,8-dimethyl-2-(propan-2-yl)-3,4,4a,5,6,7-hexahydronaphthalen-1(2H)-one
    • (2S,4aR,5R,7R)-5,7-dihydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-one
    • 185307-44-2

  • Applications

    CID 10682256 (CAS 185307-44-2) is a small organic compound with potential industrial applications. It may be used as an intermediate in organic synthesis; may serve as a solvent or processing aid in production and formulation; could function as a fragrance ingredient/odorant in the fragrance and cosmetics sectors; may be used as an additive in cleaning products and household formulations; may be used in coatings, inks, and plastics as a processing aid or stabilizer; and, subject to local regulations and formulation limits, could appear in various manufacturing formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 71.29
    methanol 133.16
    isopropanol 72.17
    water 0.72
    ethyl acetate 35.67
    n-propanol 73.78
    acetone 53.03
    n-butanol 60.56
    acetonitrile 29.09
    DMF 171.91
    toluene 49.16
    isobutanol 46.91
    1,4-dioxane 181.13
    methyl acetate 44.69
    THF 267.48
    2-butanone 60.58
    n-pentanol 35.2
    sec-butanol 35.69
    n-hexane 0.86
    ethylene glycol 16.32
    NMP 108.66
    cyclohexane 3.15
    DMSO 122.9
    n-butyl acetate 48.81
    n-octanol 22.99
    chloroform 158.74
    n-propyl acetate 32.54
    acetic acid 56.27
    dichloromethane 106.33
    cyclohexanone 112.22
    propylene glycol 19.53
    isopropyl acetate 31.82
    DMAc 98.57
    2-ethoxyethanol 61.24
    isopentanol 47.31
    n-heptane 0.83
    ethyl formate 38.91
    1,2-dichloroethane 67.09
    n-hexanol 57.53
    2-methoxyethanol 113.63
    isobutyl acetate 27.78
    tetrachloromethane 20.19
    n-pentyl acetate 40.92
    transcutol 123.69
    n-heptanol 34.33
    ethylbenzene 23.1
    MIBK 36.73
    2-propoxyethanol 109.9
    tert-butanol 68.78
    MTBE 26.84
    2-butoxyethanol 67.0
    propionic acid 40.31
    o-xylene 30.54
    formic acid 39.53
    diethyl ether 30.44
    m-xylene 37.13
    p-xylene 29.41
    chlorobenzene 55.0
    dimethyl carbonate 26.61
    n-octane 0.68
    formamide 53.83
    cyclopentanone 149.05
    2-pentanone 43.61
    anisole 46.76
    cyclopentyl methyl ether 60.41
    gamma-butyrolactone 144.57
    1-methoxy-2-propanol 89.03
    pyridine 129.03
    3-pentanone 32.32
    furfural 131.48
    n-dodecane 0.66
    diethylene glycol 90.82
    diisopropyl ether 9.43
    tert-amyl alcohol 34.84
    acetylacetone 57.08
    n-hexadecane 0.81
    acetophenone 51.11
    methyl propionate 36.69
    isopentyl acetate 48.29
    trichloroethylene 143.52
    n-nonanol 22.1
    cyclohexanol 49.21
    benzyl alcohol 55.72
    2-ethylhexanol 25.69
    isooctanol 27.29
    dipropyl ether 15.71
    1,2-dichlorobenzene 48.38
    ethyl lactate 26.05
    propylene carbonate 68.13
    n-methylformamide 80.23
    2-pentanol 27.17
    n-pentane 1.06
    1-propoxy-2-propanol 65.66
    1-methoxy-2-propyl acetate 57.79
    2-(2-methoxypropoxy) propanol 47.92
    mesitylene 19.69
    ε-caprolactone 87.56
    p-cymene 16.59
    epichlorohydrin 144.1
    1,1,1-trichloroethane 48.29
    2-aminoethanol 40.92
    morpholine-4-carbaldehyde 130.06
    sulfolane 139.15
    2,2,4-trimethylpentane 1.24
    2-methyltetrahydrofuran 91.05
    n-hexyl acetate 45.92
    isooctane 1.37
    2-(2-butoxyethoxy)ethanol 64.17
    sec-butyl acetate 24.57
    tert-butyl acetate 38.22
    decalin 2.6
    glycerin 38.5
    diglyme 110.66
    acrylic acid 41.02
    isopropyl myristate 15.68
    n-butyric acid 56.12
    acetyl acetate 32.4
    di(2-ethylhexyl) phthalate 26.55
    ethyl propionate 27.29
    nitromethane 77.49
    1,2-diethoxyethane 38.93
    benzonitrile 62.71
    trioctyl phosphate 18.8
    1-bromopropane 25.87
    gamma-valerolactone 175.85
    n-decanol 15.13
    triethyl phosphate 20.67
    4-methyl-2-pentanol 22.24
    propionitrile 37.11
    vinylene carbonate 74.2
    1,1,2-trichlorotrifluoroethane 95.92
    DMS 39.72
    cumene 16.6
    2-octanol 19.93
    2-hexanone 34.34
    octyl acetate 21.62
    limonene 18.11
    1,2-dimethoxyethane 94.77
    ethyl orthosilicate 19.88
    tributyl phosphate 18.63
    diacetone alcohol 54.87
    N,N-dimethylaniline 35.83
    acrylonitrile 52.56
    aniline 62.82
    1,3-propanediol 69.82
    bromobenzene 48.26
    dibromomethane 61.45
    1,1,2,2-tetrachloroethane 111.23
    2-methyl-cyclohexyl acetate 36.27
    tetrabutyl urea 25.4
    diisobutyl methanol 16.39
    2-phenylethanol 64.04
    styrene 24.44
    dioctyl adipate 25.18
    dimethyl sulfate 45.32
    ethyl butyrate 29.05
    methyl lactate 31.55
    butyl lactate 37.72
    diethyl carbonate 21.5
    propanediol butyl ether 48.89
    triethyl orthoformate 24.99
    p-tert-butyltoluene 15.75
    methyl 4-tert-butylbenzoate 51.12
    morpholine 177.07
    tert-butylamine 30.18
    n-dodecanol 10.27
    dimethoxymethane 96.0
    ethylene carbonate 59.6
    cyrene 64.5
    2-ethoxyethyl acetate 54.34
    2-ethylhexyl acetate 36.75
    1,2,4-trichlorobenzene 59.68
    4-methylpyridine 98.25
    dibutyl ether 13.18
    2,6-dimethyl-4-heptanol 16.39
    DEF 47.83
    dimethyl isosorbide 90.47
    tetrachloroethylene 74.47
    eugenol 54.03
    triacetin 40.43
    span 80 43.61
    1,4-butanediol 25.08
    1,1-dichloroethane 51.48
    2-methyl-1-pentanol 32.07
    methyl formate 65.64
    2-methyl-1-butanol 38.35
    n-decane 1.3
    butyronitrile 39.14
    3,7-dimethyl-1-octanol 21.07
    1-chlorooctane 9.32
    1-chlorotetradecane 3.11
    n-nonane 1.01
    undecane 0.9
    tert-butylcyclohexane 2.43
    cyclooctane 1.11
    cyclopentanol 60.67
    tetrahydropyran 120.14
    tert-amyl methyl ether 19.94
    2,5,8-trioxanonane 71.78
    1-hexene 5.8
    2-isopropoxyethanol 45.82
    2,2,2-trifluoroethanol 28.98
    methyl butyrate 38.04

    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