1,7-Diphenyl-4-hepten-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    79559-59-4

    Molecular formula
    C19H20O

    SMILES
    C1=CC=C(C=C1)CC/C=C/C(=O)CCC2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Floral 67.73%
    Balsamic 65.59%
    Sweet 64.67%
    Fruity 60.52%
    Spicy 52.07%
    Rose 43.06%
    Honey 38.83%
    Cinnamon 37.7%
    Herbal 33.22%
    Powdery 32.49%

     

    Flavor
    Balsam 49.11%
    Sweet 48.87%
    Floral 47.13%
    Green 44.75%
    Waxy 37.16%
    Honey 36.22%
    Fresh 32.78%
    Fruity 30.99%
    Rose 30.82%
    Chocolate 28.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.5 (neutral)

    Molecular weight
    264.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    386°C

    Flash point

    • 187.96 ˚C est.

  • Synonyms

    • 1,7-diphenyl-4-hepten-3-one
    • (E)-1,7-diphenylhept-4-en-3-one
    • 79559-59-4
    • (4E)-1,7-diphenylhept-4-en-3-one
    • RefChem:1053575
    • DAH-3-Keto-4-en
    • CHEMBL240484
    • MEGxp0_001315
    • SCHEMBL6373065
    • ACon1_001294
    • CHEBI:173877
    • 1,7-bisphenyl-4-en-3-heptanone
    • 1,7-diphenyl-4E-en-3-heptanone
    • HY-N8826
    • BDBM50556723
    • MFCD27967839
    • AKOS040760876
    • FS-7901
    • (4E)-1,7-diphenyl-hepta-4-en-3-on
    • NCGC00180658-01
    • DA-69417
    • CS-0149135
    • NS00097283
    • H50686
    • 1,7-Diphenyl-4-hepten-3-one, >=95% (LC/MS-UV)
    • BRD-K64408267-001-01-9
    • 170033-27-9
    • InChI=1/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,8-12,14H,7,13,15-16H2/b14-8
    • 79559-59-4

  • Applications

    1,7-Diphenyl-4-hepten-3-one (CAS 79559-59-4) is used in perfumery as a fragrance ingredient and fixative, contributing woody and amber notes and helping to stabilize and extend aroma in complex formulations; in cosmetics and personal care it may be employed as a fragrance component in products such as lotions, creams, and soaps; in household products it can serve as a fragrance additive in air fresheners, detergents, and cleaning products; in industrial manufacturing it functions as an intermediate for aroma-chemical synthesis and as a building block for more complex fragrance molecules.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.6
    methanol 18.03
    isopropanol 10.41
    water 0.03
    ethyl acetate 154.7
    n-propanol 17.51
    acetone 141.28
    n-butanol 16.83
    acetonitrile 64.41
    DMF 221.27
    toluene 81.98
    isobutanol 11.86
    1,4-dioxane 261.42
    methyl acetate 130.05
    THF 446.15
    2-butanone 142.31
    n-pentanol 20.21
    sec-butanol 14.65
    n-hexane 6.27
    ethylene glycol 4.03
    NMP 152.93
    cyclohexane 7.92
    DMSO 269.76
    n-butyl acetate 115.54
    n-octanol 9.03
    chloroform 664.03
    n-propyl acetate 117.92
    acetic acid 46.6
    dichloromethane 781.46
    cyclohexanone 201.88
    propylene glycol 10.0
    isopropyl acetate 100.12
    DMAc 359.21
    2-ethoxyethanol 63.21
    isopentanol 18.56
    n-heptane 5.38
    ethyl formate 63.2
    1,2-dichloroethane 617.44
    n-hexanol 22.43
    2-methoxyethanol 61.63
    isobutyl acetate 76.63
    tetrachloromethane 35.91
    n-pentyl acetate 50.16
    transcutol 592.75
    n-heptanol 11.17
    ethylbenzene 56.14
    MIBK 80.78
    2-propoxyethanol 70.19
    tert-butanol 19.21
    MTBE 53.61
    2-butoxyethanol 41.49
    propionic acid 38.96
    o-xylene 45.52
    formic acid 11.07
    diethyl ether 83.47
    m-xylene 44.31
    p-xylene 58.98
    chlorobenzene 151.69
    dimethyl carbonate 88.6
    n-octane 2.11
    formamide 35.3
    cyclopentanone 289.29
    2-pentanone 115.44
    anisole 161.59
    cyclopentyl methyl ether 107.29
    gamma-butyrolactone 322.26
    1-methoxy-2-propanol 57.69
    pyridine 254.31
    3-pentanone 126.39
    furfural 260.24
    n-dodecane 1.73
    diethylene glycol 41.91
    diisopropyl ether 27.11
    tert-amyl alcohol 21.25
    acetylacetone 249.12
    n-hexadecane 2.11
    acetophenone 150.07
    methyl propionate 124.82
    isopentyl acetate 106.28
    trichloroethylene 933.51
    n-nonanol 10.98
    cyclohexanol 21.2
    benzyl alcohol 62.46
    2-ethylhexanol 23.48
    isooctanol 12.97
    dipropyl ether 77.5
    1,2-dichlorobenzene 181.39
    ethyl lactate 43.4
    propylene carbonate 154.62
    n-methylformamide 59.26
    2-pentanol 13.51
    n-pentane 2.43
    1-propoxy-2-propanol 60.84
    1-methoxy-2-propyl acetate 153.12
    2-(2-methoxypropoxy) propanol 87.54
    mesitylene 29.64
    ε-caprolactone 156.57
    p-cymene 28.78
    epichlorohydrin 503.28
    1,1,1-trichloroethane 283.95
    2-aminoethanol 10.87
    morpholine-4-carbaldehyde 196.53
    sulfolane 350.14
    2,2,4-trimethylpentane 4.2
    2-methyltetrahydrofuran 146.76
    n-hexyl acetate 59.25
    isooctane 2.98
    2-(2-butoxyethoxy)ethanol 107.94
    sec-butyl acetate 89.11
    tert-butyl acetate 115.3
    decalin 11.14
    glycerin 18.23
    diglyme 286.0
    acrylic acid 41.97
    isopropyl myristate 31.35
    n-butyric acid 60.75
    acetyl acetate 127.34
    di(2-ethylhexyl) phthalate 32.07
    ethyl propionate 114.18
    nitromethane 206.59
    1,2-diethoxyethane 204.11
    benzonitrile 92.92
    trioctyl phosphate 16.54
    1-bromopropane 148.06
    gamma-valerolactone 303.02
    n-decanol 8.7
    triethyl phosphate 64.98
    4-methyl-2-pentanol 14.14
    propionitrile 57.56
    vinylene carbonate 145.24
    1,1,2-trichlorotrifluoroethane 202.64
    DMS 116.25
    cumene 35.8
    2-octanol 7.19
    2-hexanone 101.96
    octyl acetate 33.46
    limonene 37.71
    1,2-dimethoxyethane 204.46
    ethyl orthosilicate 60.51
    tributyl phosphate 28.8
    diacetone alcohol 87.3
    N,N-dimethylaniline 91.31
    acrylonitrile 85.94
    aniline 65.2
    1,3-propanediol 16.64
    bromobenzene 192.56
    dibromomethane 388.98
    1,1,2,2-tetrachloroethane 725.38
    2-methyl-cyclohexyl acetate 87.03
    tetrabutyl urea 40.44
    diisobutyl methanol 23.49
    2-phenylethanol 53.57
    styrene 78.68
    dioctyl adipate 62.26
    dimethyl sulfate 164.63
    ethyl butyrate 120.75
    methyl lactate 47.33
    butyl lactate 42.29
    diethyl carbonate 88.84
    propanediol butyl ether 33.66
    triethyl orthoformate 88.6
    p-tert-butyltoluene 27.12
    methyl 4-tert-butylbenzoate 96.8
    morpholine 195.89
    tert-butylamine 12.97
    n-dodecanol 7.47
    dimethoxymethane 178.35
    ethylene carbonate 112.48
    cyrene 78.35
    2-ethoxyethyl acetate 113.94
    2-ethylhexyl acetate 85.34
    1,2,4-trichlorobenzene 203.77
    4-methylpyridine 168.91
    dibutyl ether 50.09
    2,6-dimethyl-4-heptanol 23.49
    DEF 148.09
    dimethyl isosorbide 202.26
    tetrachloroethylene 345.86
    eugenol 78.56
    triacetin 116.32
    span 80 53.19
    1,4-butanediol 9.62
    1,1-dichloroethane 280.75
    2-methyl-1-pentanol 25.58
    methyl formate 60.55
    2-methyl-1-butanol 17.37
    n-decane 2.83
    butyronitrile 49.11
    3,7-dimethyl-1-octanol 18.52
    1-chlorooctane 16.43
    1-chlorotetradecane 7.4
    n-nonane 2.42
    undecane 2.13
    tert-butylcyclohexane 9.62
    cyclooctane 3.42
    cyclopentanol 21.87
    tetrahydropyran 151.45
    tert-amyl methyl ether 51.5
    2,5,8-trioxanonane 185.55
    1-hexene 26.96
    2-isopropoxyethanol 51.52
    2,2,2-trifluoroethanol 23.74
    methyl butyrate 138.86

    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