rel-(+)-(7R,8S)-7,8-Dihydro-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-2-naphthalenol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    135962-21-9

    Molecular formula
    C20H22O4

    SMILES
    C[C@@H]1[C@H](C2=CC(=C(C=C2C=C1C)OC)O)C3=CC(=C(C=C3)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Spicy 68.95%
    Phenolic 62.64%
    Woody 47.48%
    Sweet 47.12%
    Smoky 45.95%
    Vanilla 45.77%
    Balsamic 40.16%
    Clove 36.7%
    Powdery 36.5%
    Burnt 30.62%

     

    Flavor
    Bitter 76.67%
    Woody 23.2%
    Spice 22.84%
    Parsley 22.1%
    Eugenol 21.99%
    Cedarleaf 20.66%
    Allspice 20.63%
    Ham 20.56%
    Flat 20.09%
    Thymol 19.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    9.62 (weak base)

    Molecular weight
    326.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    616°C

    Flash point

    • 197.06 ˚C est.

  • Synonyms

    • 135962-21-9
    • rel-(+)-(7R,8S)-7,8-Dihydro-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-2-naphthalenol
    • RefChem:379018
    • (7R,8S)-8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-7,8-dihydronaphthalen-2-ol
    • DTXSID801117226
    • (7r,8s)-rel-(+)-7,8-dihydro-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-2-naphthalenol
    • 135962-21-9

  • Applications

    rel-(+)-(7R,8S)-7,8-Dihydro-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-2-naphthalenol (CAS number: 135962-21-9) is a naphthalenol bearing a guaiacyl-type aryl moiety and is primarily employed as an intermediate in chemical synthesis, serving as a chiral building block for pharmaceutical and agrochemical compounds. It may be used as a precursor in fragrance and flavor chemistry due to the guaiacyl-like aryl group, and could be utilized in cosmetics/personal care as a specialty ingredient or aroma compound in limited formulations. In the polymer and plastics sector, it may be explored as a precursor for dye or pigment synthesis or as a functional component in coatings and inks. It may also be considered as a specialty intermediate for asymmetric synthesis in research. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.69
    methanol 7.51
    isopropanol 8.03
    water 0.01
    ethyl acetate 31.72
    n-propanol 11.58
    acetone 27.23
    n-butanol 10.02
    acetonitrile 9.21
    DMF 58.15
    toluene 11.71
    isobutanol 7.75
    1,4-dioxane 56.08
    methyl acetate 28.5
    THF 107.53
    2-butanone 29.56
    n-pentanol 8.06
    sec-butanol 9.17
    n-hexane 0.52
    ethylene glycol 4.03
    NMP 37.54
    cyclohexane 1.11
    DMSO 68.75
    n-butyl acetate 21.89
    n-octanol 5.74
    chloroform 95.95
    n-propyl acetate 19.47
    acetic acid 24.73
    dichloromethane 81.55
    cyclohexanone 38.52
    propylene glycol 6.12
    isopropyl acetate 25.65
    DMAc 81.51
    2-ethoxyethanol 39.26
    isopentanol 11.8
    n-heptane 0.83
    ethyl formate 10.19
    1,2-dichloroethane 55.27
    n-hexanol 12.1
    2-methoxyethanol 51.84
    isobutyl acetate 15.04
    tetrachloromethane 8.16
    n-pentyl acetate 18.99
    transcutol 143.26
    n-heptanol 9.58
    ethylbenzene 7.03
    MIBK 21.84
    2-propoxyethanol 49.2
    tert-butanol 19.83
    MTBE 25.02
    2-butoxyethanol 31.41
    propionic acid 15.62
    o-xylene 8.51
    formic acid 8.81
    diethyl ether 28.19
    m-xylene 8.21
    p-xylene 7.87
    chlorobenzene 15.61
    dimethyl carbonate 36.42
    n-octane 0.49
    formamide 24.64
    cyclopentanone 53.47
    2-pentanone 24.64
    anisole 24.73
    cyclopentyl methyl ether 31.6
    gamma-butyrolactone 56.8
    1-methoxy-2-propanol 48.0
    pyridine 34.06
    3-pentanone 26.31
    furfural 52.61
    n-dodecane 0.41
    diethylene glycol 40.12
    diisopropyl ether 9.54
    tert-amyl alcohol 17.77
    acetylacetone 48.78
    n-hexadecane 0.5
    acetophenone 24.99
    methyl propionate 35.03
    isopentyl acetate 26.51
    trichloroethylene 118.35
    n-nonanol 7.03
    cyclohexanol 11.38
    benzyl alcohol 17.38
    2-ethylhexanol 9.62
    isooctanol 9.69
    dipropyl ether 16.7
    1,2-dichlorobenzene 19.92
    ethyl lactate 16.49
    propylene carbonate 24.05
    n-methylformamide 18.84
    2-pentanol 8.67
    n-pentane 0.52
    1-propoxy-2-propanol 34.76
    1-methoxy-2-propyl acetate 55.17
    2-(2-methoxypropoxy) propanol 37.68
    mesitylene 5.6
    ε-caprolactone 34.19
    p-cymene 7.48
    epichlorohydrin 94.44
    1,1,1-trichloroethane 37.51
    2-aminoethanol 8.09
    morpholine-4-carbaldehyde 80.21
    sulfolane 80.69
    2,2,4-trimethylpentane 0.94
    2-methyltetrahydrofuran 31.32
    n-hexyl acetate 19.13
    isooctane 0.71
    2-(2-butoxyethoxy)ethanol 46.17
    sec-butyl acetate 17.3
    tert-butyl acetate 41.36
    decalin 1.2
    glycerin 18.3
    diglyme 107.5
    acrylic acid 18.37
    isopropyl myristate 9.87
    n-butyric acid 19.71
    acetyl acetate 29.55
    di(2-ethylhexyl) phthalate 12.51
    ethyl propionate 22.22
    nitromethane 65.06
    1,2-diethoxyethane 41.83
    benzonitrile 13.55
    trioctyl phosphate 8.54
    1-bromopropane 15.98
    gamma-valerolactone 78.2
    n-decanol 5.16
    triethyl phosphate 17.91
    4-methyl-2-pentanol 8.64
    propionitrile 11.55
    vinylene carbonate 25.22
    1,1,2-trichlorotrifluoroethane 87.92
    DMS 36.7
    cumene 5.65
    2-octanol 5.97
    2-hexanone 17.0
    octyl acetate 11.34
    limonene 8.77
    1,2-dimethoxyethane 69.17
    ethyl orthosilicate 17.69
    tributyl phosphate 10.15
    diacetone alcohol 43.36
    N,N-dimethylaniline 18.44
    acrylonitrile 18.5
    aniline 17.66
    1,3-propanediol 16.32
    bromobenzene 17.0
    dibromomethane 39.85
    1,1,2,2-tetrachloroethane 92.42
    2-methyl-cyclohexyl acetate 23.73
    tetrabutyl urea 13.72
    diisobutyl methanol 8.75
    2-phenylethanol 23.61
    styrene 7.66
    dioctyl adipate 18.98
    dimethyl sulfate 61.62
    ethyl butyrate 21.72
    methyl lactate 26.72
    butyl lactate 18.73
    diethyl carbonate 18.49
    propanediol butyl ether 21.59
    triethyl orthoformate 22.96
    p-tert-butyltoluene 8.15
    methyl 4-tert-butylbenzoate 33.21
    morpholine 61.1
    tert-butylamine 8.91
    n-dodecanol 3.88
    dimethoxymethane 80.61
    ethylene carbonate 21.06
    cyrene 38.19
    2-ethoxyethyl acetate 41.72
    2-ethylhexyl acetate 19.53
    1,2,4-trichlorobenzene 27.42
    4-methylpyridine 24.13
    dibutyl ether 9.95
    2,6-dimethyl-4-heptanol 8.75
    DEF 32.95
    dimethyl isosorbide 72.83
    tetrachloroethylene 54.32
    eugenol 32.79
    triacetin 35.33
    span 80 24.92
    1,4-butanediol 6.09
    1,1-dichloroethane 28.92
    2-methyl-1-pentanol 10.23
    methyl formate 17.19
    2-methyl-1-butanol 9.98
    n-decane 0.75
    butyronitrile 8.02
    3,7-dimethyl-1-octanol 8.24
    1-chlorooctane 4.16
    1-chlorotetradecane 1.78
    n-nonane 0.59
    undecane 0.54
    tert-butylcyclohexane 1.23
    cyclooctane 0.58
    cyclopentanol 10.23
    tetrahydropyran 33.71
    tert-amyl methyl ether 20.64
    2,5,8-trioxanonane 73.93
    1-hexene 2.79
    2-isopropoxyethanol 30.59
    2,2,2-trifluoroethanol 14.82
    methyl butyrate 21.06

    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