(1R)-1,7-Dihydroxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone

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  • Identifiers

    CAS number
    41653-72-9

    Molecular formula
    C15H18O3

    SMILES
    CC1=CC2=C(C=C1O)[C@@](C(=O)C=C2C(C)C)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 44.19%
    Phenolic 44.13%
    Spicy 39.73%
    Woody 34.7%
    Dry 31.74%
    Burnt 28.07%
    Powdery 27.84%
    Vanilla 27.25%
    Musk 26.11%
    Odorless 25.38%

     

    Flavor
    Bitter 77.14%
    Odorless 23.29%
    Bland 21.02%
    Cedarleaf 20.53%
    Parsley 20.3%
    Lovage 20.1%
    Leaves 19.87%
    Sweet-like 19.86%
    Red fruit 19.37%
    Ripe apricot 19.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.6 (weak base)

    Molecular weight
    246.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    441°C

    Flash point

    • 164.76 ˚C est.

  • Synonyms

    • Lacinilene C
    • 41653-72-9
    • (1R)-1,7-dihydroxy-1,6-dimethyl-4-propan-2-ylnaphthalen-2-one
    • DTXSID80194471
    • 7T78E9F9E4
    • (1R)-1,7-Dihydroxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone
    • 1,7-Dihydroxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone
    • RefChem:905683
    • DTXCID90116962
    • 1,7-DIHYDROXY-1,6-DIMETHYL-4-ISOPROPYLNAPHTHALEN-2(1H)-ONE
    • (R)-1,7-Dihydroxy-4-isopropyl-1,6-dimethylnaphthalen-2(1H)-one
    • 2(1H)-Naphthalenone, 1,7-dihydroxy-1,6-dimethyl-4-(1-methylethyl)-, (R)-; (1R)-1,7-Dihydroxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone
    • CHEMBL254803
    • orb1681398
    • SCHEMBL29689752
    • CHEBI:192431
    • HY-N3410
    • AKOS032948595
    • FS-9880
    • DA-54762
    • (1R)-1,7-Dihydroxy-1,6-dimethyl-4-(propan-2-yl)naphthalen-2(1H)-one
    • 2(1H)-Naphthalenone, 1,7-dihydroxy-1,6-dimethyl-4-(1-methylethyl)-, (1R)-
    • 41653-72-9

  • Applications

    (1R)-1,7-Dihydroxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone is commonly used as an intermediate in fragrance chemistry and cosmetics, serving as a chiral building block for aroma compounds. It may also act as a precursor for pharmaceutical synthesis and as a starting material for specialty polymers or coating additives. In household products, it can function as a fragrance constituent or formulation intermediate in detergents and cleaners. In industrial manufacturing, it can be used as a chemical intermediate for process development or as a chiral auxiliary in organic synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.01
    methanol 57.18
    isopropanol 44.83
    water 0.07
    ethyl acetate 47.56
    n-propanol 50.74
    acetone 100.87
    n-butanol 44.46
    acetonitrile 32.39
    DMF 303.99
    toluene 66.16
    isobutanol 34.97
    1,4-dioxane 162.71
    methyl acetate 75.23
    THF 274.77
    2-butanone 120.06
    n-pentanol 34.87
    sec-butanol 39.95
    n-hexane 0.56
    ethylene glycol 8.97
    NMP 145.66
    cyclohexane 1.62
    DMSO 114.45
    n-butyl acetate 59.83
    n-octanol 24.63
    chloroform 95.7
    n-propyl acetate 46.13
    acetic acid 25.52
    dichloromethane 98.02
    cyclohexanone 133.99
    propylene glycol 14.87
    isopropyl acetate 34.11
    DMAc 193.21
    2-ethoxyethanol 59.81
    isopentanol 39.42
    n-heptane 0.98
    ethyl formate 41.34
    1,2-dichloroethane 65.87
    n-hexanol 49.25
    2-methoxyethanol 97.41
    isobutyl acetate 34.03
    tetrachloromethane 10.37
    n-pentyl acetate 49.04
    transcutol 77.09
    n-heptanol 33.09
    ethylbenzene 33.28
    MIBK 40.16
    2-propoxyethanol 90.95
    tert-butanol 56.38
    MTBE 44.02
    2-butoxyethanol 56.11
    propionic acid 29.63
    o-xylene 34.24
    formic acid 10.65
    diethyl ether 29.86
    m-xylene 34.9
    p-xylene 41.68
    chlorobenzene 48.5
    dimethyl carbonate 33.88
    n-octane 1.01
    formamide 31.45
    cyclopentanone 193.5
    2-pentanone 66.24
    anisole 71.85
    cyclopentyl methyl ether 56.84
    gamma-butyrolactone 154.73
    1-methoxy-2-propanol 76.33
    pyridine 156.24
    3-pentanone 47.9
    furfural 122.63
    n-dodecane 1.04
    diethylene glycol 58.73
    diisopropyl ether 8.22
    tert-amyl alcohol 46.54
    acetylacetone 77.51
    n-hexadecane 1.27
    acetophenone 71.43
    methyl propionate 52.4
    isopentyl acetate 60.25
    trichloroethylene 131.71
    n-nonanol 24.45
    cyclohexanol 35.22
    benzyl alcohol 69.14
    2-ethylhexanol 28.2
    isooctanol 27.65
    dipropyl ether 20.71
    1,2-dichlorobenzene 40.71
    ethyl lactate 26.58
    propylene carbonate 62.29
    n-methylformamide 76.99
    2-pentanol 22.49
    n-pentane 0.58
    1-propoxy-2-propanol 56.36
    1-methoxy-2-propyl acetate 59.05
    2-(2-methoxypropoxy) propanol 46.87
    mesitylene 15.17
    ε-caprolactone 97.09
    p-cymene 19.95
    epichlorohydrin 188.09
    1,1,1-trichloroethane 43.43
    2-aminoethanol 22.19
    morpholine-4-carbaldehyde 165.89
    sulfolane 134.98
    2,2,4-trimethylpentane 1.18
    2-methyltetrahydrofuran 112.56
    n-hexyl acetate 52.63
    isooctane 0.96
    2-(2-butoxyethoxy)ethanol 54.48
    sec-butyl acetate 31.32
    tert-butyl acetate 41.04
    decalin 2.45
    glycerin 22.95
    diglyme 99.92
    acrylic acid 27.03
    isopropyl myristate 20.03
    n-butyric acid 36.54
    acetyl acetate 32.08
    di(2-ethylhexyl) phthalate 27.18
    ethyl propionate 35.27
    nitromethane 76.14
    1,2-diethoxyethane 45.78
    benzonitrile 61.82
    trioctyl phosphate 19.53
    1-bromopropane 27.8
    gamma-valerolactone 212.25
    n-decanol 18.25
    triethyl phosphate 21.71
    4-methyl-2-pentanol 17.78
    propionitrile 38.3
    vinylene carbonate 63.78
    1,1,2-trichlorotrifluoroethane 77.48
    DMS 43.3
    cumene 20.87
    2-octanol 23.5
    2-hexanone 58.76
    octyl acetate 28.87
    limonene 22.03
    1,2-dimethoxyethane 123.77
    ethyl orthosilicate 21.59
    tributyl phosphate 18.83
    diacetone alcohol 60.48
    N,N-dimethylaniline 48.4
    acrylonitrile 56.1
    aniline 62.76
    1,3-propanediol 37.55
    bromobenzene 46.5
    dibromomethane 53.54
    1,1,2,2-tetrachloroethane 91.85
    2-methyl-cyclohexyl acetate 42.68
    tetrabutyl urea 31.31
    diisobutyl methanol 16.72
    2-phenylethanol 73.28
    styrene 35.66
    dioctyl adipate 31.11
    dimethyl sulfate 52.35
    ethyl butyrate 37.41
    methyl lactate 28.85
    butyl lactate 33.84
    diethyl carbonate 26.69
    propanediol butyl ether 43.32
    triethyl orthoformate 27.24
    p-tert-butyltoluene 18.6
    methyl 4-tert-butylbenzoate 54.61
    morpholine 175.29
    tert-butylamine 24.82
    n-dodecanol 13.21
    dimethoxymethane 124.33
    ethylene carbonate 48.67
    cyrene 69.07
    2-ethoxyethyl acetate 59.85
    2-ethylhexyl acetate 45.66
    1,2,4-trichlorobenzene 51.69
    4-methylpyridine 147.45
    dibutyl ether 18.92
    2,6-dimethyl-4-heptanol 16.72
    DEF 72.51
    dimethyl isosorbide 92.84
    tetrachloroethylene 52.48
    eugenol 57.28
    triacetin 44.78
    span 80 38.55
    1,4-butanediol 17.35
    1,1-dichloroethane 51.33
    2-methyl-1-pentanol 36.41
    methyl formate 64.57
    2-methyl-1-butanol 37.61
    n-decane 1.9
    butyronitrile 38.47
    3,7-dimethyl-1-octanol 23.0
    1-chlorooctane 12.25
    1-chlorotetradecane 4.81
    n-nonane 1.45
    undecane 1.37
    tert-butylcyclohexane 2.53
    cyclooctane 0.66
    cyclopentanol 40.99
    tetrahydropyran 108.89
    tert-amyl methyl ether 31.62
    2,5,8-trioxanonane 72.78
    1-hexene 6.36
    2-isopropoxyethanol 48.35
    2,2,2-trifluoroethanol 13.05
    methyl butyrate 54.22

    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