Citreovirenone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    103955-68-6

    Molecular formula
    C14H16O4

    SMILES
    C[C@H]1CC(=O)C=C(O1)CC2=CC(=CC(=C2)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 52.59%
    Fruity 42.86%
    Vanilla 35.08%
    Spicy 34.21%
    Floral 31.35%
    Creamy 30.71%
    Powdery 28.42%
    Woody 27.72%
    Nutty 26.42%
    Caramellic 24.78%

     

    Flavor
    Bitter 41.51%
    Spice 25.35%
    Lovage 20.29%
    Minty 20.06%
    Parsley 20.05%
    Ethyl benzoate 19.88%
    Leaves 19.53%
    Cotton candy 19.53%
    Cedarleaf 19.51%
    Extremely sweet 19.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    9.69 (weak base)

    Molecular weight
    248.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    446°C

    Flash point

    • 165.69 ˚C est.

  • Synonyms

    • Citreovirenone
    • Citreovirenone-
    • 2HBN9Z7UJ9
    • UNII-2HBN9Z7UJ9
    • 103955-68-6
    • (2S)-6-((3-Hydroxy-5-methoxy-phenyl)methyl)-2-methyl-2,3-dihydropyran-4-one
    • (S)-2,3-Dihydro-6-((3-hydroxy-5-methoxyphenyl)methyl)-2-methyl-4H-pyran-4-one
    • 4H-Pyran-4-one, 2,3-dihydro-6-((3-hydroxy-5-methoxyphenyl)methyl)-2-methyl-, (2S)-
    • CHEBI:168284
    • DTXSID001138058
    • (2S)-2,3-Dihydro-6-[(3-hydroxy-5-methoxyphenyl)methyl]-2-methyl-4H-pyran-4-one
    • (2S)-6-[(3-Hydroxy-5-methoxyphenyl)methyl]-2-methyl-2,3-dihydro-4H-pyran-4-one
    • (2S)-6-[(3-hydroxy-5-methoxyphenyl)methyl]-2-methyl-2,3-dihydropyran-4-one
    • 103955-68-6

  • Applications

    Citreovirenone, CAS 103955-68-6, is a relatively obscure organic compound with limited published industrial uses, primarily considered in early-stage development. In practice, its roles are typically viewed as an intermediate in organic synthesis and it may serve as a solvent or processing aid in chemical manufacturing. It can also be used as a research reagent in materials science and in the development of polymers or pharmaceuticals, and may be explored as a specialty additive for coatings, paints, or inks in the form of a stabilizer or processing aid, depending on formulation requirements and local regulatory constraints. Actual use would depend on applicable regulations and formulation limits, with application pursued mainly in R&D or niche production settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.23
    methanol 76.01
    isopropanol 32.64
    water 1.84
    ethyl acetate 62.0
    n-propanol 29.55
    acetone 181.61
    n-butanol 22.66
    acetonitrile 115.42
    DMF 391.46
    toluene 4.19
    isobutanol 21.72
    1,4-dioxane 94.74
    methyl acetate 83.48
    THF 196.67
    2-butanone 57.55
    n-pentanol 19.06
    sec-butanol 17.88
    n-hexane 0.21
    ethylene glycol 74.71
    NMP 245.93
    cyclohexane 0.26
    DMSO 693.16
    n-butyl acetate 27.27
    n-octanol 18.05
    chloroform 47.33
    n-propyl acetate 34.4
    acetic acid 242.36
    dichloromethane 46.97
    cyclohexanone 65.99
    propylene glycol 111.19
    isopropyl acetate 36.38
    DMAc 444.66
    2-ethoxyethanol 116.77
    isopentanol 23.17
    n-heptane 0.33
    ethyl formate 47.89
    1,2-dichloroethane 30.81
    n-hexanol 12.26
    2-methoxyethanol 245.72
    isobutyl acetate 26.28
    tetrachloromethane 2.69
    n-pentyl acetate 17.9
    transcutol 627.14
    n-heptanol 9.5
    ethylbenzene 3.04
    MIBK 38.21
    2-propoxyethanol 102.66
    tert-butanol 58.18
    MTBE 19.86
    2-butoxyethanol 43.56
    propionic acid 84.23
    o-xylene 4.48
    formic acid 145.75
    diethyl ether 15.37
    m-xylene 6.13
    p-xylene 4.63
    chlorobenzene 11.56
    dimethyl carbonate 84.62
    n-octane 0.23
    formamide 175.44
    cyclopentanone 125.38
    2-pentanone 47.24
    anisole 29.31
    cyclopentyl methyl ether 39.65
    gamma-butyrolactone 207.09
    1-methoxy-2-propanol 194.42
    pyridine 32.34
    3-pentanone 31.46
    furfural 178.81
    n-dodecane 0.67
    diethylene glycol 173.6
    diisopropyl ether 5.13
    tert-amyl alcohol 27.4
    acetylacetone 137.87
    n-hexadecane 0.76
    acetophenone 40.33
    methyl propionate 75.04
    isopentyl acetate 28.1
    trichloroethylene 76.14
    n-nonanol 17.64
    cyclohexanol 19.52
    benzyl alcohol 33.63
    2-ethylhexanol 10.75
    isooctanol 9.6
    dipropyl ether 13.54
    1,2-dichlorobenzene 16.57
    ethyl lactate 54.8
    propylene carbonate 96.19
    n-methylformamide 145.14
    2-pentanol 12.32
    n-pentane 0.17
    1-propoxy-2-propanol 73.66
    1-methoxy-2-propyl acetate 75.06
    2-(2-methoxypropoxy) propanol 107.99
    mesitylene 4.31
    ε-caprolactone 75.51
    p-cymene 5.24
    epichlorohydrin 170.96
    1,1,1-trichloroethane 23.15
    2-aminoethanol 75.11
    morpholine-4-carbaldehyde 270.28
    sulfolane 261.17
    2,2,4-trimethylpentane 0.44
    2-methyltetrahydrofuran 51.73
    n-hexyl acetate 38.18
    isooctane 0.41
    2-(2-butoxyethoxy)ethanol 141.2
    sec-butyl acetate 22.88
    tert-butyl acetate 43.7
    decalin 0.62
    glycerin 209.95
    diglyme 228.29
    acrylic acid 106.99
    isopropyl myristate 17.78
    n-butyric acid 69.12
    acetyl acetate 68.91
    di(2-ethylhexyl) phthalate 24.99
    ethyl propionate 38.61
    nitromethane 517.4
    1,2-diethoxyethane 63.73
    benzonitrile 37.11
    trioctyl phosphate 15.92
    1-bromopropane 6.73
    gamma-valerolactone 219.11
    n-decanol 13.94
    triethyl phosphate 24.24
    4-methyl-2-pentanol 12.65
    propionitrile 41.6
    vinylene carbonate 94.97
    1,1,2-trichlorotrifluoroethane 184.95
    DMS 69.67
    cumene 3.9
    2-octanol 7.42
    2-hexanone 29.65
    octyl acetate 23.45
    limonene 6.47
    1,2-dimethoxyethane 152.8
    ethyl orthosilicate 20.2
    tributyl phosphate 24.7
    diacetone alcohol 90.8
    N,N-dimethylaniline 24.14
    acrylonitrile 74.72
    aniline 19.81
    1,3-propanediol 88.37
    bromobenzene 8.99
    dibromomethane 19.19
    1,1,2,2-tetrachloroethane 57.83
    2-methyl-cyclohexyl acetate 28.29
    tetrabutyl urea 33.75
    diisobutyl methanol 9.21
    2-phenylethanol 26.31
    styrene 3.81
    dioctyl adipate 36.0
    dimethyl sulfate 172.05
    ethyl butyrate 27.71
    methyl lactate 110.39
    butyl lactate 35.73
    diethyl carbonate 27.59
    propanediol butyl ether 84.0
    triethyl orthoformate 27.15
    p-tert-butyltoluene 5.37
    methyl 4-tert-butylbenzoate 50.81
    morpholine 115.6
    tert-butylamine 14.32
    n-dodecanol 10.75
    dimethoxymethane 198.88
    ethylene carbonate 69.67
    cyrene 91.15
    2-ethoxyethyl acetate 46.56
    2-ethylhexyl acetate 19.94
    1,2,4-trichlorobenzene 26.22
    4-methylpyridine 36.17
    dibutyl ether 18.26
    2,6-dimethyl-4-heptanol 9.21
    DEF 71.27
    dimethyl isosorbide 146.4
    tetrachloroethylene 22.99
    eugenol 56.34
    triacetin 90.18
    span 80 66.92
    1,4-butanediol 42.85
    1,1-dichloroethane 22.71
    2-methyl-1-pentanol 18.46
    methyl formate 143.34
    2-methyl-1-butanol 18.58
    n-decane 0.94
    butyronitrile 30.71
    3,7-dimethyl-1-octanol 18.45
    1-chlorooctane 6.2
    1-chlorotetradecane 3.1
    n-nonane 0.71
    undecane 0.79
    tert-butylcyclohexane 0.75
    cyclooctane 0.15
    cyclopentanol 31.21
    tetrahydropyran 29.88
    tert-amyl methyl ether 16.89
    2,5,8-trioxanonane 189.77
    1-hexene 1.45
    2-isopropoxyethanol 65.59
    2,2,2-trifluoroethanol 106.21
    methyl butyrate 44.25

    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