Piperdial

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  • Identifiers

    CAS number
    100288-36-6

    Molecular formula
    C15H22O3

    SMILES
    C[C@H]1C=C([C@@H]([C@H]([C@H]2[C@@H]1CC(C2)(C)C)O)C=O)C=O

    Safety labels

  • Odor profile

    Fragrance
    Green 48.52%
    Woody 39.58%
    Spicy 35.9%
    Odorless 31.69%
    Herbal 29.27%
    Mint 25.49%
    Leafy 22.72%
    Fresh 22.34%
    Aldehydic 21.77%
    Citrus 20.07%

     

    Flavor
    Bitter 54.83%
    Spicy 35.38%
    Spice 32.86%
    Minty 28.32%
    Herbal 25.89%
    Sweet 25.14%
    Cinnamon 22.48%
    Mint 21.98%
    Cedarleaf 20.92%
    Woody 20.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.45 (neutral)

    Molecular weight
    250.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    440°C

    Flash point

    • 140.45 ˚C est.

  • Synonyms

    • Piperdial
    • 100288-36-6
    • (3ar,4s,5s,8r,8ar)-4-hydroxy-2,2,8-trimethyl-1,2,3,3a,4,5,8,8a-octahydroazulene-5,6-dicarbaldehyde
    • CCRIS 1708
    • (3aR,4S,5S,8R,8aR)-4-hydroxy-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-5,6-dicarbaldehyde
    • C09711
    • CHEBI:8236
    • orb2943045
    • SCHEMBL30469033
    • DTXSID40143107
    • Q27108012
    • 4-hydroxy-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-5,6-dicarbaldehyde
    • (3aR,4S,5S,8R,8aR)-1,2,3,3a,4,5,8,8a-Octahydro-4-hydroxy-2,2,8-trimethyl-5,6-azulenedicarboxaldehyde
    • 5,6-Azulenedicarboxaldehyde, 1,2,3,3a,4,5,8,8a-octahydro-4-hydroxy-2,2,8-trimethyl-, (3aR,4S,5S,8R,8aR)-
    • 100288-36-6

  • Applications

    Piperdial, CAS 100288-36-6, is used as an intermediate in organic synthesis with applications across multiple industries. In fragrance and perfumery, it can function as an odorant or fragrance fixative precursor. In cosmetics and personal care, it may serve as a fragrance ingredient within formulations. In household products and industrial manufacturing, it is commonly employed as an intermediate for the synthesis of polymers and coatings. It is also often evaluated for pharmaceutical synthesis as an intermediate in chemical processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 175.13
    methanol 312.69
    isopropanol 159.06
    water 1.6
    ethyl acetate 218.17
    n-propanol 173.47
    acetone 291.72
    n-butanol 135.3
    acetonitrile 157.47
    DMF 380.21
    toluene 133.88
    isobutanol 108.0
    1,4-dioxane 297.19
    methyl acetate 199.0
    THF 864.03
    2-butanone 256.26
    n-pentanol 62.61
    sec-butanol 87.54
    n-hexane 3.51
    ethylene glycol 65.65
    NMP 233.18
    cyclohexane 8.34
    DMSO 417.19
    n-butyl acetate 125.3
    n-octanol 41.32
    chloroform 477.62
    n-propyl acetate 105.22
    acetic acid 141.43
    dichloromethane 355.7
    cyclohexanone 273.49
    propylene glycol 65.96
    isopropyl acetate 150.36
    DMAc 261.61
    2-ethoxyethanol 144.53
    isopentanol 120.04
    n-heptane 3.29
    ethyl formate 147.37
    1,2-dichloroethane 274.09
    n-hexanol 100.37
    2-methoxyethanol 305.71
    isobutyl acetate 85.17
    tetrachloromethane 59.23
    n-pentyl acetate 82.19
    transcutol 341.13
    n-heptanol 51.87
    ethylbenzene 52.94
    MIBK 143.89
    2-propoxyethanol 221.21
    tert-butanol 150.66
    MTBE 106.82
    2-butoxyethanol 125.3
    propionic acid 119.49
    o-xylene 69.25
    formic acid 110.72
    diethyl ether 123.99
    m-xylene 90.84
    p-xylene 63.82
    chlorobenzene 149.92
    dimethyl carbonate 122.41
    n-octane 2.17
    formamide 141.18
    cyclopentanone 474.98
    2-pentanone 212.04
    anisole 121.57
    cyclopentyl methyl ether 207.18
    gamma-butyrolactone 463.39
    1-methoxy-2-propanol 251.25
    pyridine 257.08
    3-pentanone 148.54
    furfural 326.4
    n-dodecane 1.91
    diethylene glycol 204.51
    diisopropyl ether 35.17
    tert-amyl alcohol 86.45
    acetylacetone 238.34
    n-hexadecane 2.31
    acetophenone 125.42
    methyl propionate 186.0
    isopentyl acetate 128.03
    trichloroethylene 502.19
    n-nonanol 37.47
    cyclohexanol 102.22
    benzyl alcohol 110.32
    2-ethylhexanol 50.63
    isooctanol 43.2
    dipropyl ether 45.4
    1,2-dichlorobenzene 132.02
    ethyl lactate 75.61
    propylene carbonate 239.63
    n-methylformamide 231.91
    2-pentanol 76.44
    n-pentane 4.37
    1-propoxy-2-propanol 137.95
    1-methoxy-2-propyl acetate 169.62
    2-(2-methoxypropoxy) propanol 101.5
    mesitylene 49.46
    ε-caprolactone 229.6
    p-cymene 34.23
    epichlorohydrin 488.23
    1,1,1-trichloroethane 211.24
    2-aminoethanol 106.29
    morpholine-4-carbaldehyde 256.89
    sulfolane 402.75
    2,2,4-trimethylpentane 4.16
    2-methyltetrahydrofuran 310.93
    n-hexyl acetate 101.73
    isooctane 4.28
    2-(2-butoxyethoxy)ethanol 140.41
    sec-butyl acetate 84.03
    tert-butyl acetate 142.86
    decalin 6.92
    glycerin 113.28
    diglyme 232.05
    acrylic acid 117.92
    isopropyl myristate 35.39
    n-butyric acid 188.5
    acetyl acetate 136.25
    di(2-ethylhexyl) phthalate 47.95
    ethyl propionate 102.59
    nitromethane 266.8
    1,2-diethoxyethane 96.07
    benzonitrile 135.84
    trioctyl phosphate 35.76
    1-bromopropane 114.34
    gamma-valerolactone 436.36
    n-decanol 26.62
    triethyl phosphate 48.68
    4-methyl-2-pentanol 65.02
    propionitrile 156.79
    vinylene carbonate 212.61
    1,1,2-trichlorotrifluoroethane 277.93
    DMS 117.88
    cumene 37.35
    2-octanol 32.35
    2-hexanone 96.93
    octyl acetate 46.43
    limonene 39.1
    1,2-dimethoxyethane 219.19
    ethyl orthosilicate 44.58
    tributyl phosphate 41.34
    diacetone alcohol 175.34
    N,N-dimethylaniline 76.39
    acrylonitrile 191.69
    aniline 152.69
    1,3-propanediol 161.8
    bromobenzene 143.13
    dibromomethane 221.29
    1,1,2,2-tetrachloroethane 365.14
    2-methyl-cyclohexyl acetate 73.68
    tetrabutyl urea 52.96
    diisobutyl methanol 35.09
    2-phenylethanol 122.8
    styrene 58.46
    dioctyl adipate 54.01
    dimethyl sulfate 192.51
    ethyl butyrate 77.23
    methyl lactate 128.71
    butyl lactate 82.3
    diethyl carbonate 63.17
    propanediol butyl ether 107.51
    triethyl orthoformate 58.83
    p-tert-butyltoluene 34.04
    methyl 4-tert-butylbenzoate 104.96
    morpholine 334.08
    tert-butylamine 66.75
    n-dodecanol 19.06
    dimethoxymethane 283.74
    ethylene carbonate 185.74
    cyrene 125.95
    2-ethoxyethyl acetate 131.42
    2-ethylhexyl acetate 89.52
    1,2,4-trichlorobenzene 159.58
    4-methylpyridine 246.29
    dibutyl ether 31.53
    2,6-dimethyl-4-heptanol 35.09
    DEF 146.1
    dimethyl isosorbide 199.01
    tetrachloroethylene 220.27
    eugenol 107.59
    triacetin 101.54
    span 80 81.0
    1,4-butanediol 54.5
    1,1-dichloroethane 248.7
    2-methyl-1-pentanol 60.02
    methyl formate 213.6
    2-methyl-1-butanol 91.89
    n-decane 3.4
    butyronitrile 148.06
    3,7-dimethyl-1-octanol 45.49
    1-chlorooctane 23.23
    1-chlorotetradecane 7.91
    n-nonane 2.96
    undecane 2.46
    tert-butylcyclohexane 6.42
    cyclooctane 3.57
    cyclopentanol 132.73
    tetrahydropyran 298.09
    tert-amyl methyl ether 72.51
    2,5,8-trioxanonane 148.24
    1-hexene 18.56
    2-isopropoxyethanol 105.08
    2,2,2-trifluoroethanol 98.13
    methyl butyrate 128.17

    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