Neogrifolin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    23665-96-5

    Molecular formula
    C22H32O2

    SMILES
    CC1=CC(=CC(=C1C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 50.99%
    Fruity 48.04%
    Woody 42.06%
    Balsamic 37.39%
    Spicy 32.11%
    Sweet 29.39%
    Waxy 28.89%
    Rose 26.42%
    Fresh 25.3%
    Citrus 23.93%

     

    Flavor
    Woody 42.59%
    Wood 35.06%
    Balsam 34.09%
    Herbal 28.16%
    Floral 28.12%
    Spicy 27.89%
    Spice 26.77%
    Balsamic 25.68%
    Flower 25.06%
    Mild 24.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    10.46 (weak base)

    Molecular weight
    328.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    424°C

    Flash point

    • 193.27 ˚C est.

  • Synonyms

    • Neogrifolin
    • 23665-96-5
    • 5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,3-diol
    • 4-farnesyl-5-methylresorcinol
    • 5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzene-1,3-diol
    • 5-Methyl-6-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,3-benzenediol
    • 5-Methyl-4-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)benzene-1,3-diol
    • E,E,5-Methyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,3-benzenediol
    • 5-methyl-4-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
    • RefChem:165249
    • 4-trans,trans-Farnesyl-5-methylresorcinol
    • 1,3-Benzenediol, 5-methyl-4-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-
    • CHEMBL4641877
    • starbld0006025
    • 2SLA8PNR99
    • MEGxm0_000089
    • orb1682033
    • SCHEMBL29452837
    • ACon1_000698
    • CHEBI:170126
    • DTXSID701318136
    • HY-N8387
    • BDBM50537952
    • AKOS040762105
    • NCGC00169446-01
    • DA-56100
    • CS-0143829
    • BRD-K77797958-001-01-4
    • 1,3-Benzenediol, 5-methyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-
    • 1,3-Benzenediol, 5-methyl-4-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-
    • 5-Methyl-4-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1,3-benzenediol
    • Resorcinol, 5-methyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-
    • 23665-96-5

  • Applications

    Neogrifolin (CAS 23665-96-5) is a natural product primarily studied for its potential biological activity. In industrial synthesis, it may serve as an organic synthesis intermediate. In laboratory analysis, it is used as a reference standard and an analytical reagent to support structure elucidation and quantification. It is also being explored as a potential precursor for colorant or pigment-related compounds and for materials applications in coatings, polymers, or related substrates, depending on research outcomes and local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 123.23
    methanol 81.95
    isopropanol 56.58
    water 0.01
    ethyl acetate 144.16
    n-propanol 98.34
    acetone 95.3
    n-butanol 114.75
    acetonitrile 17.56
    DMF 61.55
    toluene 56.11
    isobutanol 50.46
    1,4-dioxane 307.28
    methyl acetate 67.46
    THF 791.17
    2-butanone 150.07
    n-pentanol 89.74
    sec-butanol 76.44
    n-hexane 10.76
    ethylene glycol 1.07
    NMP 63.57
    cyclohexane 13.66
    DMSO 80.89
    n-butyl acetate 123.68
    n-octanol 38.21
    chloroform 132.78
    n-propyl acetate 94.69
    acetic acid 24.46
    dichloromethane 100.6
    cyclohexanone 160.51
    propylene glycol 8.57
    isopropyl acetate 97.29
    DMAc 138.47
    2-ethoxyethanol 126.26
    isopentanol 89.4
    n-heptane 9.38
    ethyl formate 35.06
    1,2-dichloroethane 75.68
    n-hexanol 98.32
    2-methoxyethanol 138.31
    isobutyl acetate 74.91
    tetrachloromethane 16.0
    n-pentyl acetate 82.26
    transcutol 678.03
    n-heptanol 51.36
    ethylbenzene 32.43
    MIBK 95.87
    2-propoxyethanol 193.42
    tert-butanol 92.5
    MTBE 203.58
    2-butoxyethanol 117.55
    propionic acid 21.7
    o-xylene 27.92
    formic acid 4.72
    diethyl ether 241.19
    m-xylene 37.15
    p-xylene 36.57
    chlorobenzene 40.4
    dimethyl carbonate 18.31
    n-octane 3.25
    formamide 11.46
    cyclopentanone 165.56
    2-pentanone 137.37
    anisole 105.1
    cyclopentyl methyl ether 184.51
    gamma-butyrolactone 111.61
    1-methoxy-2-propanol 135.25
    pyridine 120.4
    3-pentanone 91.33
    furfural 69.92
    n-dodecane 2.36
    diethylene glycol 42.03
    diisopropyl ether 48.67
    tert-amyl alcohol 98.68
    acetylacetone 113.96
    n-hexadecane 2.77
    acetophenone 70.05
    methyl propionate 74.65
    isopentyl acetate 125.69
    trichloroethylene 115.85
    n-nonanol 44.66
    cyclohexanol 59.57
    benzyl alcohol 49.46
    2-ethylhexanol 65.01
    isooctanol 47.13
    dipropyl ether 141.76
    1,2-dichlorobenzene 38.53
    ethyl lactate 27.05
    propylene carbonate 54.61
    n-methylformamide 22.22
    2-pentanol 63.27
    n-pentane 7.3
    1-propoxy-2-propanol 156.78
    1-methoxy-2-propyl acetate 148.32
    2-(2-methoxypropoxy) propanol 133.38
    mesitylene 23.82
    ε-caprolactone 134.58
    p-cymene 25.65
    epichlorohydrin 218.34
    1,1,1-trichloroethane 72.73
    2-aminoethanol 10.46
    morpholine-4-carbaldehyde 121.63
    sulfolane 107.35
    2,2,4-trimethylpentane 6.84
    2-methyltetrahydrofuran 346.99
    n-hexyl acetate 109.07
    isooctane 5.43
    2-(2-butoxyethoxy)ethanol 207.66
    sec-butyl acetate 91.23
    tert-butyl acetate 134.18
    decalin 8.39
    glycerin 11.94
    diglyme 368.5
    acrylic acid 9.94
    isopropyl myristate 46.64
    n-butyric acid 77.33
    acetyl acetate 51.31
    di(2-ethylhexyl) phthalate 37.71
    ethyl propionate 83.86
    nitromethane 48.35
    1,2-diethoxyethane 279.08
    benzonitrile 32.56
    trioctyl phosphate 24.83
    1-bromopropane 68.39
    gamma-valerolactone 233.81
    n-decanol 29.58
    triethyl phosphate 42.34
    4-methyl-2-pentanol 43.71
    propionitrile 30.1
    vinylene carbonate 37.04
    1,1,2-trichlorotrifluoroethane 70.79
    DMS 44.02
    cumene 24.48
    2-octanol 32.26
    2-hexanone 119.39
    octyl acetate 56.81
    limonene 41.74
    1,2-dimethoxyethane 319.34
    ethyl orthosilicate 53.45
    tributyl phosphate 30.32
    diacetone alcohol 116.38
    N,N-dimethylaniline 63.92
    acrylonitrile 20.0
    aniline 47.54
    1,3-propanediol 38.22
    bromobenzene 42.06
    dibromomethane 71.14
    1,1,2,2-tetrachloroethane 120.09
    2-methyl-cyclohexyl acetate 96.23
    tetrabutyl urea 42.84
    diisobutyl methanol 37.3
    2-phenylethanol 72.31
    styrene 33.52
    dioctyl adipate 68.78
    dimethyl sulfate 24.07
    ethyl butyrate 103.03
    methyl lactate 22.19
    butyl lactate 53.58
    diethyl carbonate 49.91
    propanediol butyl ether 69.54
    triethyl orthoformate 92.45
    p-tert-butyltoluene 27.81
    methyl 4-tert-butylbenzoate 86.49
    morpholine 402.67
    tert-butylamine 55.26
    n-dodecanol 20.26
    dimethoxymethane 143.87
    ethylene carbonate 37.32
    cyrene 78.49
    2-ethoxyethyl acetate 126.38
    2-ethylhexyl acetate 103.74
    1,2,4-trichlorobenzene 48.81
    4-methylpyridine 106.11
    dibutyl ether 89.84
    2,6-dimethyl-4-heptanol 37.3
    DEF 106.42
    dimethyl isosorbide 228.9
    tetrachloroethylene 56.82
    eugenol 76.6
    triacetin 87.81
    span 80 111.31
    1,4-butanediol 9.77
    1,1-dichloroethane 62.13
    2-methyl-1-pentanol 93.47
    methyl formate 14.02
    2-methyl-1-butanol 84.78
    n-decane 5.32
    butyronitrile 58.16
    3,7-dimethyl-1-octanol 46.7
    1-chlorooctane 28.18
    1-chlorotetradecane 9.09
    n-nonane 4.45
    undecane 3.34
    tert-butylcyclohexane 9.96
    cyclooctane 4.61
    cyclopentanol 47.59
    tetrahydropyran 443.66
    tert-amyl methyl ether 139.35
    2,5,8-trioxanonane 226.67
    1-hexene 46.12
    2-isopropoxyethanol 99.16
    2,2,2-trifluoroethanol 4.33
    methyl butyrate 99.76

    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