Piperenol C

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  • Identifiers

    CAS number
    174819-31-9

    Molecular formula
    C22H24O10

    SMILES
    CC(=O)OC1C=C(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Odorless 70.73%
    Balsamic 26.14%
    Floral 22.87%
    Clean 21.26%
    Winey 20.2%
    Herbal 17.72%
    Burnt 17.7%
    Grape 17.39%
    Phenolic 17.08%
    Aromatic 16.88%

     

    Flavor
    Bitter 53.51%
    Fruity 51.14%
    Odorless 34.21%
    Mild 31.68%
    Grape 25.05%
    Very mild 24.85%
    Sweet 21.56%
    Toffee 21.38%
    Molasses 20.77%
    Bland 20.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    3.89 (weak acid)

    Molecular weight
    448.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    400°C

    Flash point

    • 225.74 ˚C est.

  • Synonyms

    • Piperenol C
    • CHEBI:176135
    • DTXSID201124601
    • (3,4,5,6-tetraacetyloxycyclohexen-1-yl)methyl benzoate
    • [3,4,5,6-TETRAKIS(ACETYLOXY)CYCLOHEX-1-EN-1-YL]METHYL BENZOATE
    • 174819-31-9
    • 5-Cyclohexene-1,2,3,4-tetrol, 5-[(benzoyloxy)methyl]-, tetraacetate, [1R-(1I+/-,2I(2),3I(2),4I+/-)]-
    • 174819-31-9

  • Applications

    Piperenol C, CAS 174819-31-9, is regarded as a building block and intermediate in fragrance and flavor chemistry, with real-world applications primarily in the fragrance, cosmetics, and household cleaning sectors. It may be used as a fragrance ingredient or intermediate in perfume formulations and in cosmetic products, and can be evaluated as an aroma compound in flavor formulations. It may also serve as a building block for the synthesis of specialty polymers and plastics. Other potential applications include use in coatings, inks, and adhesives where a fragrance component is desirable, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 44.59
    methanol 62.75
    isopropanol 27.08
    water 0.96
    ethyl acetate 42.22
    n-propanol 31.62
    acetone 210.0
    n-butanol 18.26
    acetonitrile 70.73
    DMF 358.78
    toluene 3.73
    isobutanol 15.74
    1,4-dioxane 84.8
    methyl acetate 86.05
    THF 223.2
    2-butanone 95.11
    n-pentanol 14.29
    sec-butanol 21.53
    n-hexane 0.53
    ethylene glycol 15.04
    NMP 385.94
    cyclohexane 0.43
    DMSO 882.26
    n-butyl acetate 16.29
    n-octanol 4.37
    chloroform 81.24
    n-propyl acetate 27.15
    acetic acid 192.96
    dichloromethane 114.42
    cyclohexanone 87.29
    propylene glycol 15.62
    isopropyl acetate 17.49
    DMAc 609.35
    2-ethoxyethanol 86.24
    isopentanol 10.71
    n-heptane 0.19
    ethyl formate 55.77
    1,2-dichloroethane 68.36
    n-hexanol 4.53
    2-methoxyethanol 142.55
    isobutyl acetate 9.86
    tetrachloromethane 5.61
    n-pentyl acetate 9.01
    transcutol 76.03
    n-heptanol 3.54
    ethylbenzene 3.71
    MIBK 13.16
    2-propoxyethanol 43.82
    tert-butanol 20.59
    MTBE 13.97
    2-butoxyethanol 21.87
    propionic acid 64.57
    o-xylene 3.65
    formic acid 124.89
    diethyl ether 20.08
    m-xylene 1.83
    p-xylene 5.84
    chlorobenzene 12.34
    dimethyl carbonate 54.88
    n-octane 0.16
    formamide 180.55
    cyclopentanone 168.6
    2-pentanone 39.72
    anisole 22.92
    cyclopentyl methyl ether 22.88
    gamma-butyrolactone 231.51
    1-methoxy-2-propanol 67.42
    pyridine 73.09
    3-pentanone 37.14
    furfural 151.96
    n-dodecane 0.22
    diethylene glycol 38.85
    diisopropyl ether 2.15
    tert-amyl alcohol 18.51
    acetylacetone 66.49
    n-hexadecane 0.25
    acetophenone 32.2
    methyl propionate 58.32
    isopentyl acetate 12.18
    trichloroethylene 128.75
    n-nonanol 4.6
    cyclohexanol 13.1
    benzyl alcohol 22.84
    2-ethylhexanol 3.12
    isooctanol 2.67
    dipropyl ether 8.93
    1,2-dichlorobenzene 15.29
    ethyl lactate 22.37
    propylene carbonate 73.46
    n-methylformamide 152.37
    2-pentanol 7.61
    n-pentane 0.33
    1-propoxy-2-propanol 22.67
    1-methoxy-2-propyl acetate 22.82
    2-(2-methoxypropoxy) propanol 34.56
    mesitylene 0.98
    ε-caprolactone 82.13
    p-cymene 1.65
    epichlorohydrin 188.23
    1,1,1-trichloroethane 32.16
    2-aminoethanol 27.2
    morpholine-4-carbaldehyde 224.51
    sulfolane 346.27
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 70.35
    n-hexyl acetate 13.03
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 34.35
    sec-butyl acetate 12.44
    tert-butyl acetate 14.09
    decalin 0.47
    glycerin 39.08
    diglyme 80.61
    acrylic acid 77.76
    isopropyl myristate 5.38
    n-butyric acid 47.48
    acetyl acetate 31.75
    di(2-ethylhexyl) phthalate 10.3
    ethyl propionate 29.37
    nitromethane 413.51
    1,2-diethoxyethane 22.19
    benzonitrile 19.79
    trioctyl phosphate 5.68
    1-bromopropane 20.2
    gamma-valerolactone 230.51
    n-decanol 3.33
    triethyl phosphate 15.97
    4-methyl-2-pentanol 3.04
    propionitrile 33.13
    vinylene carbonate 72.04
    1,1,2-trichlorotrifluoroethane 129.31
    DMS 22.9
    cumene 2.42
    2-octanol 2.31
    2-hexanone 29.52
    octyl acetate 8.26
    limonene 2.31
    1,2-dimethoxyethane 154.52
    ethyl orthosilicate 12.8
    tributyl phosphate 9.35
    diacetone alcohol 26.89
    N,N-dimethylaniline 16.55
    acrylonitrile 54.45
    aniline 16.64
    1,3-propanediol 40.37
    bromobenzene 9.42
    dibromomethane 51.23
    1,1,2,2-tetrachloroethane 90.79
    2-methyl-cyclohexyl acetate 13.77
    tetrabutyl urea 16.74
    diisobutyl methanol 1.73
    2-phenylethanol 10.12
    styrene 5.3
    dioctyl adipate 14.75
    dimethyl sulfate 136.98
    ethyl butyrate 17.99
    methyl lactate 44.59
    butyl lactate 11.94
    diethyl carbonate 16.21
    propanediol butyl ether 17.23
    triethyl orthoformate 15.41
    p-tert-butyltoluene 1.31
    methyl 4-tert-butylbenzoate 22.14
    morpholine 114.25
    tert-butylamine 6.83
    n-dodecanol 2.45
    dimethoxymethane 133.83
    ethylene carbonate 55.09
    cyrene 52.84
    2-ethoxyethyl acetate 19.53
    2-ethylhexyl acetate 9.5
    1,2,4-trichlorobenzene 25.43
    4-methylpyridine 54.36
    dibutyl ether 7.08
    2,6-dimethyl-4-heptanol 1.73
    DEF 74.8
    dimethyl isosorbide 53.91
    tetrachloroethylene 46.61
    eugenol 21.15
    triacetin 26.32
    span 80 18.07
    1,4-butanediol 18.49
    1,1-dichloroethane 42.5
    2-methyl-1-pentanol 10.79
    methyl formate 138.24
    2-methyl-1-butanol 13.71
    n-decane 0.37
    butyronitrile 22.95
    3,7-dimethyl-1-octanol 3.39
    1-chlorooctane 2.29
    1-chlorotetradecane 1.04
    n-nonane 0.28
    undecane 0.28
    tert-butylcyclohexane 0.31
    cyclooctane 0.11
    cyclopentanol 26.3
    tetrahydropyran 41.58
    tert-amyl methyl ether 12.54
    2,5,8-trioxanonane 60.68
    1-hexene 3.17
    2-isopropoxyethanol 40.37
    2,2,2-trifluoroethanol 83.08
    methyl butyrate 39.68

    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