Dehydrodiisoeugenol

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  • Identifiers

    CAS number
    2680-81-1

    Molecular formula
    C20H22O4

    SMILES
    C/C=C/C1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Spicy 78.04%
    Sweet 60.47%
    Vanilla 55.84%
    Phenolic 47.57%
    Floral 46.85%
    Clove 44.44%
    Balsamic 44.41%
    Smoky 40.6%
    Powdery 39.19%
    Woody 38.83%

     

    Flavor
    Bitter 69.1%
    Spice 28.83%
    Woody 23.33%
    Spicy 23.23%
    Parsley 22.06%
    Eugenol 20.65%
    Flower 19.78%
    Ham 19.69%
    Lovage 19.67%
    Cedarleaf 19.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.08 (neutral)

    Molecular weight
    326.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    531°C

    Flash point

    • 169.14 ˚C est.

  • Synonyms

    • Dehydrodiisoeugenol
    • 2680-81-1
    • 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
    • 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrobenzofuran-2-yl]phenol
    • 2-methoxy-4-(7-methoxy-3-methyl-5-((E)-prop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl)phenol
    • 2-methoxy-4-(7-methoxy-3-methyl-5-((E)-prop-1-enyl)-2,3-dihydrobenzofuran-2-yl)phenol
    • RefChem:585636
    • Diisoeugenol, dehydro-
    • Isoeugenol, dehydrodi-
    • MFCD13194820
    • bmse010228
    • 2-Methoxy-4-(7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydrobenzofuran-2-yl)phenol
    • Phenol, 4-(2,3-dihydro-7-methoxy-3-methyl-5-propenyl-2-benzofuranyl)-2-methoxy-
    • Phenol, 4-[2,3-dihydro-7-methoxy-3-methyl-5-(1-propenyl)-2-benzofuranyl]-2-methoxy-
    • 83377-50-8
    • 4-[(2R,3R)-2,3-Dihydro-7-methoxy-3-methyl-5-[(E)-1-propenyl]benzofuran-2-yl]-2-methoxyphenol
    • AC1NTDZA
    • NSC16743
    • Phenol, 4-(2,3-dihydro-7-methoxy-3-methyl-5-(1-propenyl)-2-benzofuranyl)-2-methoxy-
    • NSC 16743
    • DEHRODIISOEUGENOL
    • Dehydrodiisoeugenol (Standard)
    • orb1300206
    • SCHEMBL2871103
    • CHEMBL2442730
    • HY-N0589R
    • ITDOFWOJEDZPCF-AATRIKPKSA-N
    • 23518-30-1
    • EX-A4978
    • HY-N0589
    • s9098
    • AKOS030530346
    • CCG-223449
    • EBC-616578
    • AC-34580
    • FD145225
    • MS-24875
    • CS-0009602
    • 680D811
    • 2-Methoxy-4-(7-methoxy-3-methyl-5-propenyl-2,3-dihydrobenzofuran-2-yl) phenol
    • 2-Methoxy-4-(7-methoxy-3-methyl-5-[(1E)-1-propenyl]-2,3-dihydro-1-benzofuran-2-yl)phenol #
    • 2-METHOXY-4-{7-METHOXY-3-METHYL-5-[(1E)-PROP-1-EN-1-YL]-2,3-DIHYDRO-1-BENZOFURAN-2-YL}PHENOL
    • 2680-81-1

  • Applications

    Dehydrodiisoeugenol (CAS 2680-81-1) is often evaluated as a fragrance ingredient in perfumery and cosmetics, acting as an odorant and potentially a fixative in fragrance formulations; it is also used as a building block or intermediate for lignan-type compounds; in polymer and coating applications it can function as an antioxidant and stabilizer to improve aging resistance and light stability; in paints, inks and adhesives it may provide stabilization and contribute fragrance; in cleaning formulations it can serve as a fragrance component and help maintain formulation integrity.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 38.25
    methanol 37.96
    isopropanol 31.49
    water 0.18
    ethyl acetate 103.6
    n-propanol 35.1
    acetone 97.43
    n-butanol 39.03
    acetonitrile 49.61
    DMF 74.27
    toluene 40.28
    isobutanol 29.21
    1,4-dioxane 155.19
    methyl acetate 79.42
    THF 242.41
    2-butanone 71.93
    n-pentanol 34.93
    sec-butanol 29.0
    n-hexane 2.43
    ethylene glycol 16.73
    NMP 51.52
    cyclohexane 7.54
    DMSO 107.65
    n-butyl acetate 52.68
    n-octanol 26.34
    chloroform 277.54
    n-propyl acetate 59.57
    acetic acid 98.8
    dichloromethane 272.1
    cyclohexanone 101.13
    propylene glycol 16.15
    isopropyl acetate 79.87
    DMAc 102.67
    2-ethoxyethanol 107.06
    isopentanol 50.79
    n-heptane 3.54
    ethyl formate 46.33
    1,2-dichloroethane 153.74
    n-hexanol 38.89
    2-methoxyethanol 125.88
    isobutyl acetate 53.83
    tetrachloromethane 31.52
    n-pentyl acetate 61.93
    transcutol 286.9
    n-heptanol 32.44
    ethylbenzene 24.98
    MIBK 64.91
    2-propoxyethanol 104.81
    tert-butanol 56.94
    MTBE 56.52
    2-butoxyethanol 84.45
    propionic acid 45.92
    o-xylene 25.97
    formic acid 34.01
    diethyl ether 75.94
    m-xylene 28.64
    p-xylene 31.85
    chlorobenzene 60.02
    dimethyl carbonate 71.18
    n-octane 3.29
    formamide 65.08
    cyclopentanone 119.09
    2-pentanone 67.78
    anisole 60.69
    cyclopentyl methyl ether 69.52
    gamma-butyrolactone 131.0
    1-methoxy-2-propanol 99.52
    pyridine 100.92
    3-pentanone 55.62
    furfural 120.68
    n-dodecane 3.25
    diethylene glycol 105.61
    diisopropyl ether 25.72
    tert-amyl alcohol 45.03
    acetylacetone 131.15
    n-hexadecane 3.77
    acetophenone 65.81
    methyl propionate 71.55
    isopentyl acetate 64.79
    trichloroethylene 284.91
    n-nonanol 28.75
    cyclohexanol 44.56
    benzyl alcohol 54.72
    2-ethylhexanol 28.54
    isooctanol 32.45
    dipropyl ether 32.57
    1,2-dichlorobenzene 66.09
    ethyl lactate 39.42
    propylene carbonate 73.44
    n-methylformamide 39.21
    2-pentanol 31.55
    n-pentane 2.64
    1-propoxy-2-propanol 63.27
    1-methoxy-2-propyl acetate 84.89
    2-(2-methoxypropoxy) propanol 83.11
    mesitylene 20.57
    ε-caprolactone 86.65
    p-cymene 21.18
    epichlorohydrin 194.86
    1,1,1-trichloroethane 111.41
    2-aminoethanol 24.42
    morpholine-4-carbaldehyde 117.0
    sulfolane 120.06
    2,2,4-trimethylpentane 3.52
    2-methyltetrahydrofuran 86.06
    n-hexyl acetate 65.21
    isooctane 2.85
    2-(2-butoxyethoxy)ethanol 112.0
    sec-butyl acetate 51.19
    tert-butyl acetate 93.51
    decalin 5.14
    glycerin 41.06
    diglyme 218.95
    acrylic acid 50.05
    isopropyl myristate 33.07
    n-butyric acid 74.65
    acetyl acetate 98.55
    di(2-ethylhexyl) phthalate 37.22
    ethyl propionate 53.88
    nitromethane 161.07
    1,2-diethoxyethane 98.56
    benzonitrile 58.17
    trioctyl phosphate 27.7
    1-bromopropane 53.13
    gamma-valerolactone 145.77
    n-decanol 22.22
    triethyl phosphate 37.34
    4-methyl-2-pentanol 30.85
    propionitrile 48.73
    vinylene carbonate 80.03
    1,1,2-trichlorotrifluoroethane 149.23
    DMS 74.89
    cumene 19.94
    2-octanol 23.47
    2-hexanone 50.94
    octyl acetate 39.44
    limonene 23.38
    1,2-dimethoxyethane 152.57
    ethyl orthosilicate 37.83
    tributyl phosphate 31.45
    diacetone alcohol 87.95
    N,N-dimethylaniline 40.24
    acrylonitrile 63.38
    aniline 48.27
    1,3-propanediol 57.9
    bromobenzene 66.41
    dibromomethane 144.52
    1,1,2,2-tetrachloroethane 194.24
    2-methyl-cyclohexyl acetate 56.4
    tetrabutyl urea 39.23
    diisobutyl methanol 23.27
    2-phenylethanol 62.29
    styrene 28.37
    dioctyl adipate 52.56
    dimethyl sulfate 89.14
    ethyl butyrate 44.56
    methyl lactate 46.16
    butyl lactate 46.51
    diethyl carbonate 42.42
    propanediol butyl ether 59.09
    triethyl orthoformate 44.31
    p-tert-butyltoluene 19.98
    methyl 4-tert-butylbenzoate 71.0
    morpholine 128.14
    tert-butylamine 28.02
    n-dodecanol 17.85
    dimethoxymethane 145.55
    ethylene carbonate 70.7
    cyrene 84.3
    2-ethoxyethyl acetate 99.84
    2-ethylhexyl acetate 48.57
    1,2,4-trichlorobenzene 74.0
    4-methylpyridine 70.41
    dibutyl ether 34.12
    2,6-dimethyl-4-heptanol 23.27
    DEF 65.29
    dimethyl isosorbide 128.67
    tetrachloroethylene 135.28
    eugenol 72.84
    triacetin 86.29
    span 80 58.94
    1,4-butanediol 26.23
    1,1-dichloroethane 102.9
    2-methyl-1-pentanol 44.73
    methyl formate 47.27
    2-methyl-1-butanol 39.95
    n-decane 5.2
    butyronitrile 43.53
    3,7-dimethyl-1-octanol 30.76
    1-chlorooctane 20.18
    1-chlorotetradecane 9.82
    n-nonane 4.31
    undecane 3.91
    tert-butylcyclohexane 4.48
    cyclooctane 3.09
    cyclopentanol 36.86
    tetrahydropyran 98.77
    tert-amyl methyl ether 43.43
    2,5,8-trioxanonane 158.19
    1-hexene 10.92
    2-isopropoxyethanol 88.87
    2,2,2-trifluoroethanol 48.34
    methyl butyrate 56.34

    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