Norisoguaiacin

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  • Identifiers

    CAS number
    50376-42-6

    Molecular formula
    C19H22O4

    SMILES
    C[C@@H]1CC2=CC(=C(C=C2[C@H]([C@@H]1C)C3=CC(=C(C=C3)O)OC)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 69.26%
    Spicy 54.99%
    Smoky 46.66%
    Burnt 37.26%
    Vanilla 35.13%
    Woody 34.05%
    Medicinal 34.05%
    Odorless 33.01%
    Balsamic 32.85%
    Sweet 28.07%

     

    Flavor
    Bitter 74.78%
    Phenolic 26.91%
    Woody 25.15%
    Sweet 24.94%
    Medicinal 23.66%
    Eugenol 22.65%
    Spicy 22.38%
    Allspice 21.67%
    Parsley 21.46%
    Ham 21.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    9.91 (weak base)

    Molecular weight
    314.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    545°C

    Flash point

    • 202.86 ˚C est.

  • Synonyms

    • Norisoguaiacin
    • 50376-42-6
    • 4O99323A5X
    • DTXSID40198435
    • 2,3-Naphthalenediol, 5,6,7,8-tetrahydro-5-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-, (5R-(5alpha,6beta,7beta))-
    • RefChem:43820
    • DTXCID70120926
    • (5R,6R,7R)-5-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
    • UNII-4O99323A5X
    • 6-O-DEMETHYLISOGUAIACIN
    • Q27260287
    • 2,3-NAPHTHALENEDIOL, 5,6,7,8-TETRAHYDRO-5-(4-HYDROXY-3-METHOXYPHENYL)-6,7-DIMETHYL-, (5R,6R,7R)-
    • 2,3-NAPHTHALENEDIOL, 5,6,7,8-TETRAHYDRO-5-(4-HYDROXY-3-METHOXYPHENYL)-6,7-DIMETHYL-, (5R-(5.ALPHA.,6.BETA.,7.BETA.))-
    • 50376-42-6

  • Applications

    Norisoguaiacin (CAS 50376-42-6) is a norisoprenoid-like compound commonly used as an aroma ingredient and may serve as a fragrance component in perfume and flavor formulations for the food industry; it is also evaluated for use in cosmetics and personal care as a fragrance ingredient. In addition, it may function as an intermediate in the synthesis of aroma compounds and other specialty chemicals in industrial manufacturing; it is being explored for applications in coatings and inks as a fragrance additive or to enhance product identity. In consumer and household products, Norisoguaiacin may be used in laundry detergents and cleaners to impart fragrance, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 74.07
    methanol 107.94
    isopropanol 38.71
    water 0.14
    ethyl acetate 102.52
    n-propanol 70.54
    acetone 75.6
    n-butanol 43.73
    acetonitrile 24.02
    DMF 167.75
    toluene 13.89
    isobutanol 27.34
    1,4-dioxane 95.31
    methyl acetate 73.09
    THF 238.96
    2-butanone 73.9
    n-pentanol 18.13
    sec-butanol 27.58
    n-hexane 0.28
    ethylene glycol 29.26
    NMP 54.88
    cyclohexane 0.76
    DMSO 240.62
    n-butyl acetate 42.27
    n-octanol 12.57
    chloroform 52.0
    n-propyl acetate 34.36
    acetic acid 82.8
    dichloromethane 47.8
    cyclohexanone 69.95
    propylene glycol 33.91
    isopropyl acetate 68.23
    DMAc 163.44
    2-ethoxyethanol 103.78
    isopentanol 34.55
    n-heptane 0.68
    ethyl formate 27.33
    1,2-dichloroethane 50.62
    n-hexanol 30.61
    2-methoxyethanol 245.23
    isobutyl acetate 22.42
    tetrachloromethane 6.88
    n-pentyl acetate 34.83
    transcutol 312.74
    n-heptanol 21.32
    ethylbenzene 7.65
    MIBK 45.79
    2-propoxyethanol 130.12
    tert-butanol 65.43
    MTBE 59.7
    2-butoxyethanol 67.15
    propionic acid 48.39
    o-xylene 10.29
    formic acid 46.83
    diethyl ether 59.91
    m-xylene 12.27
    p-xylene 7.66
    chlorobenzene 16.78
    dimethyl carbonate 74.19
    n-octane 0.58
    formamide 151.5
    cyclopentanone 116.17
    2-pentanone 65.66
    anisole 32.96
    cyclopentyl methyl ether 56.64
    gamma-butyrolactone 135.12
    1-methoxy-2-propanol 167.25
    pyridine 54.64
    3-pentanone 45.19
    furfural 94.96
    n-dodecane 0.5
    diethylene glycol 120.95
    diisopropyl ether 14.34
    tert-amyl alcohol 46.03
    acetylacetone 118.35
    n-hexadecane 0.6
    acetophenone 33.39
    methyl propionate 94.98
    isopentyl acetate 46.32
    trichloroethylene 111.18
    n-nonanol 13.92
    cyclohexanol 24.24
    benzyl alcohol 32.36
    2-ethylhexanol 15.11
    isooctanol 18.91
    dipropyl ether 19.51
    1,2-dichlorobenzene 19.46
    ethyl lactate 33.4
    propylene carbonate 53.86
    n-methylformamide 98.22
    2-pentanol 22.77
    n-pentane 0.39
    1-propoxy-2-propanol 74.71
    1-methoxy-2-propyl acetate 96.67
    2-(2-methoxypropoxy) propanol 59.83
    mesitylene 8.01
    ε-caprolactone 64.66
    p-cymene 8.43
    epichlorohydrin 167.82
    1,1,1-trichloroethane 30.03
    2-aminoethanol 57.14
    morpholine-4-carbaldehyde 127.33
    sulfolane 162.25
    2,2,4-trimethylpentane 0.9
    2-methyltetrahydrofuran 63.35
    n-hexyl acetate 33.81
    isooctane 0.86
    2-(2-butoxyethoxy)ethanol 91.58
    sec-butyl acetate 28.27
    tert-butyl acetate 89.61
    decalin 0.94
    glycerin 77.62
    diglyme 173.58
    acrylic acid 51.01
    isopropyl myristate 14.15
    n-butyric acid 66.23
    acetyl acetate 58.38
    di(2-ethylhexyl) phthalate 17.44
    ethyl propionate 37.31
    nitromethane 187.92
    1,2-diethoxyethane 72.23
    benzonitrile 21.07
    trioctyl phosphate 13.8
    1-bromopropane 12.93
    gamma-valerolactone 162.29
    n-decanol 10.22
    triethyl phosphate 21.39
    4-methyl-2-pentanol 19.74
    propionitrile 28.57
    vinylene carbonate 49.63
    1,1,2-trichlorotrifluoroethane 157.55
    DMS 51.78
    cumene 6.12
    2-octanol 12.51
    2-hexanone 24.53
    octyl acetate 17.72
    limonene 9.67
    1,2-dimethoxyethane 129.23
    ethyl orthosilicate 21.37
    tributyl phosphate 14.68
    diacetone alcohol 105.81
    N,N-dimethylaniline 20.61
    acrylonitrile 47.12
    aniline 33.31
    1,3-propanediol 101.38
    bromobenzene 14.67
    dibromomethane 21.1
    1,1,2,2-tetrachloroethane 86.54
    2-methyl-cyclohexyl acetate 27.35
    tetrabutyl urea 18.2
    diisobutyl methanol 13.41
    2-phenylethanol 42.04
    styrene 8.24
    dioctyl adipate 23.21
    dimethyl sulfate 109.9
    ethyl butyrate 29.74
    methyl lactate 67.95
    butyl lactate 34.52
    diethyl carbonate 24.43
    propanediol butyl ether 51.08
    triethyl orthoformate 27.05
    p-tert-butyltoluene 9.53
    methyl 4-tert-butylbenzoate 46.77
    morpholine 124.9
    tert-butylamine 21.72
    n-dodecanol 7.34
    dimethoxymethane 226.24
    ethylene carbonate 44.27
    cyrene 57.32
    2-ethoxyethyl acetate 79.38
    2-ethylhexyl acetate 28.99
    1,2,4-trichlorobenzene 28.0
    4-methylpyridine 39.84
    dibutyl ether 13.31
    2,6-dimethyl-4-heptanol 13.41
    DEF 61.8
    dimethyl isosorbide 107.4
    tetrachloroethylene 55.88
    eugenol 47.58
    triacetin 50.62
    span 80 42.67
    1,4-butanediol 22.28
    1,1-dichloroethane 25.61
    2-methyl-1-pentanol 19.7
    methyl formate 67.18
    2-methyl-1-butanol 27.28
    n-decane 0.92
    butyronitrile 19.23
    3,7-dimethyl-1-octanol 15.3
    1-chlorooctane 5.4
    1-chlorotetradecane 2.22
    n-nonane 0.71
    undecane 0.66
    tert-butylcyclohexane 1.0
    cyclooctane 0.46
    cyclopentanol 25.76
    tetrahydropyran 61.65
    tert-amyl methyl ether 38.92
    2,5,8-trioxanonane 114.02
    1-hexene 1.93
    2-isopropoxyethanol 66.42
    2,2,2-trifluoroethanol 40.48
    methyl butyrate 35.12

    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