4-Nerolidylcatechol

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  • Identifiers

    CAS number
    74683-11-7

    Molecular formula
    C21H30O2

    SMILES
    CC(=CCC/C(=C/CCC(C)(C=C)C1=CC(=C(C=C1)O)O)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 47.87%
    Spicy 37.7%
    Balsamic 37.6%
    Floral 36.62%
    Sweet 30.02%
    Fruity 29.87%
    Waxy 26.98%
    Citrus 26.25%
    Fresh 25.9%
    Dry 25.2%

     

    Flavor
    Woody 50.67%
    Wood 36.9%
    Balsam 32.27%
    Herbal 31.99%
    Spice 28.0%
    Spicy 25.48%
    Citrus 25.37%
    Balsamic 25.18%
    Herb 24.87%
    Diterpene 22.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.0

    pKa est.
    9.92 (weak base)

    Molecular weight
    314.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    386°C

    Flash point

    • 190.96 ˚C est.

  • Synonyms

    • 4-Nerolidylcatechol
    • 74683-11-7
    • 4-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol
    • DTXSID201315787
    • 4-((6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl)benzene-1,2-diol
    • RefChem:912713
    • DTXCID001745673
    • NSC692990
    • SCHEMBL14106951
    • CHEBI:174288
    • 1,2-Benzenediol, 4-(1-ethenyl-1,5,9-trimethyl-4,8-decadienyl)-
    • NSC-692990
    • 3-(3,4-Dihydroxyphenyl)-3,7,11-trimethyl-1,6,10-dodecatriene
    • 4-[(4E)-1,5,9-trimethyl-1-vinyl-deca-4,8-dienyl]benzene-1,2-diol
    • 74683-11-7

  • Applications

    4-Nerolidylcatechol (CAS 74683-11-7) can serve as a fragrance ingredient or fixative in perfumery; it may be evaluated for use in cosmetics and personal-care formulations as a fragrance component and, owing to its phenolic moiety, may be considered as a potential antioxidant or stabilizer in polymer or coating systems; it is also likely to function as an intermediate in organic synthesis for fragrance chemistry and related industrial applications; it could act as an additive or stabilizer in polymers, coatings, or inks, depending on regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 879.83
    methanol 567.46
    isopropanol 436.05
    water 0.02
    ethyl acetate 918.44
    n-propanol 675.43
    acetone 212.01
    n-butanol 652.36
    acetonitrile 68.75
    DMF 207.4
    toluene 177.45
    isobutanol 276.9
    1,4-dioxane 639.02
    methyl acetate 282.46
    THF 1469.21
    2-butanone 516.35
    n-pentanol 277.5
    sec-butanol 463.74
    n-hexane 8.14
    ethylene glycol 7.83
    NMP 77.85
    cyclohexane 13.7
    DMSO 142.86
    n-butyl acetate 288.04
    n-octanol 67.12
    chloroform 313.7
    n-propyl acetate 231.05
    acetic acid 89.01
    dichloromethane 283.12
    cyclohexanone 294.94
    propylene glycol 43.01
    isopropyl acetate 457.41
    DMAc 354.99
    2-ethoxyethanol 444.28
    isopentanol 403.83
    n-heptane 7.84
    ethyl formate 117.71
    1,2-dichloroethane 211.99
    n-hexanol 269.32
    2-methoxyethanol 808.48
    isobutyl acetate 129.86
    tetrachloromethane 29.29
    n-pentyl acetate 165.78
    transcutol 1642.6
    n-heptanol 95.26
    ethylbenzene 71.52
    MIBK 281.04
    2-propoxyethanol 521.79
    tert-butanol 439.74
    MTBE 889.4
    2-butoxyethanol 237.91
    propionic acid 86.25
    o-xylene 68.64
    formic acid 23.08
    diethyl ether 1165.4
    m-xylene 105.71
    p-xylene 58.02
    chlorobenzene 86.37
    dimethyl carbonate 71.49
    n-octane 3.19
    formamide 70.48
    cyclopentanone 261.65
    2-pentanone 584.08
    anisole 236.4
    cyclopentyl methyl ether 428.07
    gamma-butyrolactone 207.35
    1-methoxy-2-propanol 688.88
    pyridine 339.65
    3-pentanone 286.85
    furfural 135.3
    n-dodecane 2.33
    diethylene glycol 142.49
    diisopropyl ether 155.63
    tert-amyl alcohol 476.98
    acetylacetone 334.63
    n-hexadecane 2.74
    acetophenone 124.95
    methyl propionate 419.46
    isopentyl acetate 274.86
    trichloroethylene 334.19
    n-nonanol 70.67
    cyclohexanol 162.21
    benzyl alcohol 108.89
    2-ethylhexanol 121.65
    isooctanol 88.24
    dipropyl ether 280.66
    1,2-dichlorobenzene 69.32
    ethyl lactate 62.41
    propylene carbonate 100.74
    n-methylformamide 109.69
    2-pentanol 384.13
    n-pentane 13.47
    1-propoxy-2-propanol 382.8
    1-methoxy-2-propyl acetate 427.51
    2-(2-methoxypropoxy) propanol 217.66
    mesitylene 51.13
    ε-caprolactone 289.29
    p-cymene 40.02
    epichlorohydrin 529.78
    1,1,1-trichloroethane 153.68
    2-aminoethanol 74.73
    morpholine-4-carbaldehyde 235.23
    sulfolane 128.81
    2,2,4-trimethylpentane 11.88
    2-methyltetrahydrofuran 755.43
    n-hexyl acetate 198.9
    isooctane 10.09
    2-(2-butoxyethoxy)ethanol 374.16
    sec-butyl acetate 218.43
    tert-butyl acetate 459.06
    decalin 7.92
    glycerin 50.03
    diglyme 666.81
    acrylic acid 36.26
    isopropyl myristate 65.67
    n-butyric acid 322.13
    acetyl acetate 167.62
    di(2-ethylhexyl) phthalate 53.62
    ethyl propionate 235.42
    nitromethane 161.79
    1,2-diethoxyethane 642.6
    benzonitrile 63.47
    trioctyl phosphate 35.43
    1-bromopropane 209.09
    gamma-valerolactone 416.82
    n-decanol 47.91
    triethyl phosphate 61.46
    4-methyl-2-pentanol 180.75
    propionitrile 134.61
    vinylene carbonate 74.17
    1,1,2-trichlorotrifluoroethane 143.72
    DMS 101.02
    cumene 42.4
    2-octanol 58.05
    2-hexanone 222.0
    octyl acetate 81.3
    limonene 63.76
    1,2-dimethoxyethane 696.85
    ethyl orthosilicate 77.85
    tributyl phosphate 43.59
    diacetone alcohol 368.41
    N,N-dimethylaniline 109.28
    acrylonitrile 94.91
    aniline 144.19
    1,3-propanediol 232.64
    bromobenzene 86.62
    dibromomethane 164.93
    1,1,2,2-tetrachloroethane 261.64
    2-methyl-cyclohexyl acetate 131.68
    tetrabutyl urea 55.69
    diisobutyl methanol 80.22
    2-phenylethanol 144.74
    styrene 76.06
    dioctyl adipate 93.57
    dimethyl sulfate 62.23
    ethyl butyrate 227.75
    methyl lactate 80.92
    butyl lactate 99.39
    diethyl carbonate 101.6
    propanediol butyl ether 144.6
    triethyl orthoformate 147.34
    p-tert-butyltoluene 46.37
    methyl 4-tert-butylbenzoate 130.48
    morpholine 1155.29
    tert-butylamine 225.83
    n-dodecanol 32.17
    dimethoxymethane 660.07
    ethylene carbonate 75.52
    cyrene 109.17
    2-ethoxyethyl acetate 316.24
    2-ethylhexyl acetate 193.76
    1,2,4-trichlorobenzene 82.24
    4-methylpyridine 276.74
    dibutyl ether 128.98
    2,6-dimethyl-4-heptanol 80.22
    DEF 383.17
    dimethyl isosorbide 325.7
    tetrachloroethylene 128.2
    eugenol 124.58
    triacetin 133.16
    span 80 154.13
    1,4-butanediol 36.95
    1,1-dichloroethane 214.13
    2-methyl-1-pentanol 246.71
    methyl formate 50.16
    2-methyl-1-butanol 364.69
    n-decane 5.08
    butyronitrile 235.68
    3,7-dimethyl-1-octanol 92.28
    1-chlorooctane 36.6
    1-chlorotetradecane 10.8
    n-nonane 4.14
    undecane 3.27
    tert-butylcyclohexane 10.67
    cyclooctane 5.14
    cyclopentanol 107.76
    tetrahydropyran 977.06
    tert-amyl methyl ether 529.21
    2,5,8-trioxanonane 387.14
    1-hexene 69.95
    2-isopropoxyethanol 276.38
    2,2,2-trifluoroethanol 12.79
    methyl butyrate 242.42

    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