Derricin

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  • Identifiers

    CAS number
    38965-77-4

    Molecular formula
    C21H22O3

    SMILES
    CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=CC=C2)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 64.01%
    Floral 61.34%
    Spicy 54.17%
    Balsamic 53.32%
    Fruity 46.7%
    Herbal 41.39%
    Warm 34.25%
    Powdery 32.26%
    Woody 31.6%
    Rose 28.76%

     

    Flavor
    Bitter 74.51%
    Lovage 19.99%
    Heather 19.93%
    Broom 19.82%
    Genet 19.77%
    Nitrile 19.11%
    Parsley 19.0%
    Cedarleaf 18.87%
    Ethyl benzoate 18.6%
    Butyric 18.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    8.83 (weak base)

    Molecular weight
    322.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    519°C

    Flash point

    • 189.9 ˚C est.

  • Synonyms

    • Derricin
    • 38965-77-4
    • (E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one
    • (E)-1-(2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl)-3-phenylprop-2-en-1-one
    • RefChem:132084
    • 2-Propen-1-one, 1-(2-hydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-phenyl-, (E)-
    • Acrylophenone, 2'-hydroxy-4'-methoxy-3'-(3-methyl-2-butenyl)-3-phenyl-, (E)-
    • trans-1-(2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-phenyl-2-propen-1-one
    • CHEMBL455982
    • SCHEMBL22979478
    • CHEBI:137773
    • LMPK12120009
    • NSC270895
    • NSC-270895
    • 34211-25-1
    • 38965-77-4

  • Applications

    Derricin (CAS 38965-77-4) is primarily used as a fragrance ingredient and odorant in perfumery and related applications; it may also be employed in cosmetics and personal care products as part of fragrance formulations; in household products and cleaners it can serve as a scented additive; it is sometimes evaluated for inclusion in coatings, inks, and polymer formulations to impart aroma; use is subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 49.34
    methanol 50.35
    isopropanol 33.15
    water 0.01
    ethyl acetate 250.12
    n-propanol 56.73
    acetone 231.51
    n-butanol 46.91
    acetonitrile 74.78
    DMF 295.88
    toluene 151.01
    isobutanol 37.47
    1,4-dioxane 237.1
    methyl acetate 213.14
    THF 675.89
    2-butanone 250.56
    n-pentanol 33.02
    sec-butanol 46.81
    n-hexane 2.19
    ethylene glycol 7.32
    NMP 286.22
    cyclohexane 6.13
    DMSO 317.84
    n-butyl acetate 83.26
    n-octanol 10.67
    chloroform 841.89
    n-propyl acetate 85.08
    acetic acid 94.09
    dichloromethane 868.77
    cyclohexanone 294.89
    propylene glycol 27.48
    isopropyl acetate 126.69
    DMAc 508.88
    2-ethoxyethanol 84.49
    isopentanol 43.37
    n-heptane 1.87
    ethyl formate 61.11
    1,2-dichloroethane 608.36
    n-hexanol 32.76
    2-methoxyethanol 158.95
    isobutyl acetate 56.27
    tetrachloromethane 31.17
    n-pentyl acetate 42.16
    transcutol 431.09
    n-heptanol 16.09
    ethylbenzene 39.89
    MIBK 101.58
    2-propoxyethanol 105.86
    tert-butanol 62.81
    MTBE 93.34
    2-butoxyethanol 52.58
    propionic acid 74.14
    o-xylene 51.18
    formic acid 21.11
    diethyl ether 136.35
    m-xylene 55.08
    p-xylene 45.49
    chlorobenzene 192.24
    dimethyl carbonate 147.83
    n-octane 0.9
    formamide 68.4
    cyclopentanone 478.1
    2-pentanone 179.3
    anisole 118.06
    cyclopentyl methyl ether 207.09
    gamma-butyrolactone 400.01
    1-methoxy-2-propanol 139.6
    pyridine 304.77
    3-pentanone 176.84
    furfural 247.62
    n-dodecane 0.95
    diethylene glycol 67.72
    diisopropyl ether 26.54
    tert-amyl alcohol 55.91
    acetylacetone 280.04
    n-hexadecane 1.17
    acetophenone 114.37
    methyl propionate 238.16
    isopentyl acetate 83.27
    trichloroethylene 1037.87
    n-nonanol 12.31
    cyclohexanol 61.41
    benzyl alcohol 76.01
    2-ethylhexanol 23.31
    isooctanol 16.42
    dipropyl ether 46.78
    1,2-dichlorobenzene 153.67
    ethyl lactate 48.94
    propylene carbonate 174.77
    n-methylformamide 93.13
    2-pentanol 34.13
    n-pentane 1.79
    1-propoxy-2-propanol 75.97
    1-methoxy-2-propyl acetate 154.4
    2-(2-methoxypropoxy) propanol 81.53
    mesitylene 25.46
    ε-caprolactone 212.56
    p-cymene 18.65
    epichlorohydrin 668.02
    1,1,1-trichloroethane 301.4
    2-aminoethanol 24.66
    morpholine-4-carbaldehyde 269.66
    sulfolane 438.73
    2,2,4-trimethylpentane 2.89
    2-methyltetrahydrofuran 288.1
    n-hexyl acetate 48.96
    isooctane 1.88
    2-(2-butoxyethoxy)ethanol 99.75
    sec-butyl acetate 69.64
    tert-butyl acetate 134.06
    decalin 4.91
    glycerin 45.64
    diglyme 234.54
    acrylic acid 73.01
    isopropyl myristate 23.85
    n-butyric acid 98.26
    acetyl acetate 152.65
    di(2-ethylhexyl) phthalate 29.47
    ethyl propionate 95.67
    nitromethane 309.47
    1,2-diethoxyethane 117.12
    benzonitrile 84.0
    trioctyl phosphate 17.05
    1-bromopropane 184.71
    gamma-valerolactone 414.02
    n-decanol 9.3
    triethyl phosphate 46.81
    4-methyl-2-pentanol 23.09
    propionitrile 79.78
    vinylene carbonate 145.8
    1,1,2-trichlorotrifluoroethane 299.73
    DMS 106.44
    cumene 21.9
    2-octanol 9.24
    2-hexanone 80.77
    octyl acetate 27.55
    limonene 27.14
    1,2-dimethoxyethane 183.43
    ethyl orthosilicate 43.19
    tributyl phosphate 24.69
    diacetone alcohol 132.89
    N,N-dimethylaniline 63.95
    acrylonitrile 109.69
    aniline 148.49
    1,3-propanediol 45.96
    bromobenzene 217.11
    dibromomethane 434.91
    1,1,2,2-tetrachloroethane 750.05
    2-methyl-cyclohexyl acetate 62.14
    tetrabutyl urea 33.19
    diisobutyl methanol 18.32
    2-phenylethanol 67.06
    styrene 60.56
    dioctyl adipate 49.23
    dimethyl sulfate 220.81
    ethyl butyrate 71.39
    methyl lactate 89.86
    butyl lactate 40.19
    diethyl carbonate 58.36
    propanediol butyl ether 41.97
    triethyl orthoformate 59.07
    p-tert-butyltoluene 19.05
    methyl 4-tert-butylbenzoate 74.15
    morpholine 314.23
    tert-butylamine 28.52
    n-dodecanol 7.34
    dimethoxymethane 314.53
    ethylene carbonate 119.11
    cyrene 93.85
    2-ethoxyethyl acetate 93.84
    2-ethylhexyl acetate 62.67
    1,2,4-trichlorobenzene 195.33
    4-methylpyridine 253.89
    dibutyl ether 27.0
    2,6-dimethyl-4-heptanol 18.32
    DEF 207.98
    dimethyl isosorbide 179.23
    tetrachloroethylene 320.55
    eugenol 66.94
    triacetin 86.73
    span 80 52.78
    1,4-butanediol 13.42
    1,1-dichloroethane 404.55
    2-methyl-1-pentanol 39.7
    methyl formate 82.71
    2-methyl-1-butanol 46.02
    n-decane 1.63
    butyronitrile 60.33
    3,7-dimethyl-1-octanol 17.17
    1-chlorooctane 11.14
    1-chlorotetradecane 4.84
    n-nonane 1.33
    undecane 1.17
    tert-butylcyclohexane 4.11
    cyclooctane 1.83
    cyclopentanol 70.56
    tetrahydropyran 263.98
    tert-amyl methyl ether 74.31
    2,5,8-trioxanonane 162.24
    1-hexene 15.76
    2-isopropoxyethanol 64.36
    2,2,2-trifluoroethanol 34.91
    methyl butyrate 102.15

    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