Pseudoionone, (3E,5Z)-

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  • Identifiers

    CAS number
    13927-47-4

    Molecular formula
    C13H20O

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 81.91%
    Fruity 79.75%
    Sweet 77.86%
    Woody 69.84%
    Citrus 64.15%
    Fresh 53.96%
    Waxy 53.65%
    Tropical 51.76%
    Rose 48.52%
    Green 47.01%

     

    Flavor
    Floral 71.42%
    Sweet 63.82%
    Citrus 60.22%
    Spicy 42.56%
    Waxy 42.12%
    Green 40.49%
    Woody 38.19%
    Orange 38.11%
    Dry 37.06%
    Lemon 36.93%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    9.11 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    266°C

    Flash point

    • 110.64 ˚C est.

  • Synonyms

    • cis-psi-Ionone
    • 3-trans-5-cis-Pseudoionone
    • Pseudoionone, (3E,5Z)-
    • 9BXY7HLV2L
    • 13927-47-4
    • 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,Z)-
    • FEMA No. 4299, (3E,5Z)-
    • 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (3E,5Z)-
    • RefChem:1097085
    • UNII-9BXY7HLV2L
    • cis-.psi.-Ionone
    • (E,Z)-Pseudoionone
    • (3E,5Z)-6,10-dimethylundeca-3,5,9-trien-2-one
    • (3E,5Z)-6,10-Dimethyl-3,5,9-undecatrien-2-one
    • (3E,5Z)-pseudoionone
    • SCHEMBL15820994
    • DTXSID60859273
    • JXJIQCXXJGRKRJ-CQJQESKGSA-N
    • Q27272331
    • (3E,5Z)-6,10-Dimethyl-3,5,9-undecatrien-2-one #
    • 13927-47-4

  • Applications

    Pseudoionone, (3E,5Z)- (CAS 13927-47-4) is primarily used as a fragrance-related chemical and a synthetic precursor in the ionone family. In perfumery it serves as an odorant and an important intermediate for ionone-type notes; it is also used in cosmetics and personal care products as a fragrance ingredient; in household cleaning products and air fresheners as a scent component; in the flavor/aroma sector it may be used as a flavor/aroma precursor or to impart violet-like notes in formulations; in industrial manufacturing it functions as an intermediate in fragrance synthesis and related ionone chemistry; and in coatings or inks it can be included as a fragrance additive to impart aroma.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 715.88
    methanol 603.0
    isopropanol 466.06
    water 0.36
    ethyl acetate 517.82
    n-propanol 443.9
    acetone 417.65
    n-butanol 485.9
    acetonitrile 317.44
    DMF 300.01
    toluene 290.03
    isobutanol 291.73
    1,4-dioxane 1065.86
    methyl acetate 367.32
    THF 1161.03
    2-butanone 416.73
    n-pentanol 370.45
    sec-butanol 424.64
    n-hexane 226.58
    ethylene glycol 56.39
    NMP 333.97
    cyclohexane 213.79
    DMSO 305.63
    n-butyl acetate 445.17
    n-octanol 216.48
    chloroform 1112.59
    n-propyl acetate 319.23
    acetic acid 287.21
    dichloromethane 724.05
    cyclohexanone 523.27
    propylene glycol 170.29
    isopropyl acetate 338.52
    DMAc 404.95
    2-ethoxyethanol 414.7
    isopentanol 392.01
    n-heptane 129.49
    ethyl formate 198.02
    1,2-dichloroethane 413.59
    n-hexanol 547.04
    2-methoxyethanol 553.45
    isobutyl acetate 234.44
    tetrachloromethane 156.61
    n-pentyl acetate 230.24
    transcutol 1734.16
    n-heptanol 214.23
    ethylbenzene 199.78
    MIBK 257.68
    2-propoxyethanol 651.29
    tert-butanol 566.03
    MTBE 605.97
    2-butoxyethanol 329.33
    propionic acid 243.5
    o-xylene 180.17
    formic acid 69.83
    diethyl ether 711.33
    m-xylene 198.62
    p-xylene 230.23
    chlorobenzene 249.92
    dimethyl carbonate 83.14
    n-octane 38.4
    formamide 96.49
    cyclopentanone 432.86
    2-pentanone 390.87
    anisole 347.99
    cyclopentyl methyl ether 547.0
    gamma-butyrolactone 398.21
    1-methoxy-2-propanol 447.42
    pyridine 514.51
    3-pentanone 277.77
    furfural 354.49
    n-dodecane 25.05
    diethylene glycol 295.41
    diisopropyl ether 221.11
    tert-amyl alcohol 486.99
    acetylacetone 331.73
    n-hexadecane 28.48
    acetophenone 252.24
    methyl propionate 279.19
    isopentyl acetate 407.94
    trichloroethylene 701.74
    n-nonanol 202.04
    cyclohexanol 387.25
    benzyl alcohol 233.25
    2-ethylhexanol 340.39
    isooctanol 168.76
    dipropyl ether 479.25
    1,2-dichlorobenzene 224.24
    ethyl lactate 141.15
    propylene carbonate 274.76
    n-methylformamide 136.74
    2-pentanol 333.82
    n-pentane 133.14
    1-propoxy-2-propanol 534.84
    1-methoxy-2-propyl acetate 426.91
    2-(2-methoxypropoxy) propanol 363.99
    mesitylene 130.08
    ε-caprolactone 468.34
    p-cymene 136.51
    epichlorohydrin 584.79
    1,1,1-trichloroethane 479.54
    2-aminoethanol 191.64
    morpholine-4-carbaldehyde 511.95
    sulfolane 383.61
    2,2,4-trimethylpentane 60.85
    2-methyltetrahydrofuran 934.1
    n-hexyl acetate 390.15
    isooctane 46.11
    2-(2-butoxyethoxy)ethanol 511.24
    sec-butyl acetate 263.06
    tert-butyl acetate 370.04
    decalin 105.27
    glycerin 158.72
    diglyme 806.41
    acrylic acid 152.56
    isopropyl myristate 155.99
    n-butyric acid 396.56
    acetyl acetate 266.38
    di(2-ethylhexyl) phthalate 146.24
    ethyl propionate 274.35
    nitromethane 298.52
    1,2-diethoxyethane 648.3
    benzonitrile 258.3
    trioctyl phosphate 95.25
    1-bromopropane 416.96
    gamma-valerolactone 605.53
    n-decanol 145.66
    triethyl phosphate 159.16
    4-methyl-2-pentanol 203.5
    propionitrile 286.57
    vinylene carbonate 226.3
    1,1,2-trichlorotrifluoroethane 369.57
    DMS 228.56
    cumene 145.65
    2-octanol 145.43
    2-hexanone 343.58
    octyl acetate 192.16
    limonene 230.33
    1,2-dimethoxyethane 727.25
    ethyl orthosilicate 171.04
    tributyl phosphate 131.18
    diacetone alcohol 347.49
    N,N-dimethylaniline 237.34
    acrylonitrile 233.54
    aniline 304.2
    1,3-propanediol 270.33
    bromobenzene 277.78
    dibromomethane 553.23
    1,1,2,2-tetrachloroethane 664.96
    2-methyl-cyclohexyl acetate 294.92
    tetrabutyl urea 158.8
    diisobutyl methanol 184.2
    2-phenylethanol 289.58
    styrene 230.4
    dioctyl adipate 227.1
    dimethyl sulfate 104.65
    ethyl butyrate 344.2
    methyl lactate 124.58
    butyl lactate 178.46
    diethyl carbonate 225.64
    propanediol butyl ether 302.52
    triethyl orthoformate 266.22
    p-tert-butyltoluene 132.78
    methyl 4-tert-butylbenzoate 236.67
    morpholine 1177.91
    tert-butylamine 429.76
    n-dodecanol 112.48
    dimethoxymethane 334.76
    ethylene carbonate 207.19
    cyrene 247.08
    2-ethoxyethyl acetate 322.59
    2-ethylhexyl acetate 330.52
    1,2,4-trichlorobenzene 278.0
    4-methylpyridine 513.3
    dibutyl ether 384.2
    2,6-dimethyl-4-heptanol 184.2
    DEF 354.12
    dimethyl isosorbide 537.02
    tetrachloroethylene 402.55
    eugenol 228.4
    triacetin 337.63
    span 80 338.83
    1,4-butanediol 106.92
    1,1-dichloroethane 497.17
    2-methyl-1-pentanol 326.09
    methyl formate 91.16
    2-methyl-1-butanol 336.86
    n-decane 48.41
    butyronitrile 374.0
    3,7-dimethyl-1-octanol 238.02
    1-chlorooctane 164.91
    1-chlorotetradecane 63.23
    n-nonane 50.97
    undecane 32.81
    tert-butylcyclohexane 101.29
    cyclooctane 78.97
    cyclopentanol 286.09
    tetrahydropyran 1104.27
    tert-amyl methyl ether 452.89
    2,5,8-trioxanonane 541.02
    1-hexene 479.01
    2-isopropoxyethanol 316.64
    2,2,2-trifluoroethanol 61.84
    methyl butyrate 335.18

    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