CID 91885002

Overview IFRA Request a quote

  • Identifiers

    CAS number
    172617-99-1

    Molecular formula
    C28H38O7

    SMILES
    CC(C)C[C@H](C1=C(C(=C(C(=C1O)C=O)O)C=O)O)[C@]2(CCC(=O)C2[C@H]3[C@H](C3(C)C)CCC(=O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 54.94%
    Odorless 44.37%
    Dry 31.77%
    Spicy 30.31%
    Amber 27.42%
    Mint 26.68%
    Cooling 25.01%
    Herbal 24.65%
    Fresh 22.94%
    Cedar 22.39%

     

    Flavor
    Bitter 77.52%
    Odorless 23.65%
    Bland 22.03%
    Cedarleaf 21.44%
    Heather 19.73%
    Broom 19.53%
    Parsley 19.24%
    Genet 19.18%
    Lovage 19.17%
    Basil 18.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.6 (neutral)

    Molecular weight
    486.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    702°C

    Flash point

    • 172.92 ˚C est.

  • Synonyms

    • 172617-99-1
    • 5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
    • DTXSID201100069
    • AKOS032948110
    • CS-0024390
    • H63525
    • 5-[(1S)-1-[(1R)-2-[(1R,3R)-2,2-Dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde
    • 172617-99-1

  • Applications

    CID 91885002 (CAS 172617-99-1) is primarily used as an industrial chemical intermediate and processing aid. In real-world applications it is commonly evaluated as a solvent or co-solvent in manufacturing processes; as a precursor or building block in organic synthesis; as a plasticizer or stabilizer component in polymer formulations; as an additive in coatings, inks, and adhesives formulations; and as a processing aid in cleaning products, industrial cleaners, or formulation concentrates, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.42
    methanol 39.09
    isopropanol 35.11
    water 0.03
    ethyl acetate 27.78
    n-propanol 45.8
    acetone 70.77
    n-butanol 31.88
    acetonitrile 25.21
    DMF 111.24
    toluene 5.87
    isobutanol 26.77
    1,4-dioxane 44.15
    methyl acetate 34.68
    THF 173.39
    2-butanone 68.1
    n-pentanol 26.55
    sec-butanol 29.61
    n-hexane 0.39
    ethylene glycol 11.85
    NMP 136.54
    cyclohexane 0.43
    DMSO 183.77
    n-butyl acetate 20.94
    n-octanol 7.94
    chloroform 50.63
    n-propyl acetate 21.8
    acetic acid 75.29
    dichloromethane 37.47
    cyclohexanone 75.97
    propylene glycol 35.34
    isopropyl acetate 21.11
    DMAc 148.28
    2-ethoxyethanol 53.69
    isopentanol 22.43
    n-heptane 0.24
    ethyl formate 22.34
    1,2-dichloroethane 26.61
    n-hexanol 19.46
    2-methoxyethanol 79.18
    isobutyl acetate 16.38
    tetrachloromethane 5.25
    n-pentyl acetate 19.61
    transcutol 51.54
    n-heptanol 11.65
    ethylbenzene 4.09
    MIBK 23.91
    2-propoxyethanol 66.03
    tert-butanol 26.35
    MTBE 13.3
    2-butoxyethanol 40.23
    propionic acid 41.56
    o-xylene 3.83
    formic acid 25.87
    diethyl ether 14.07
    m-xylene 3.62
    p-xylene 5.36
    chlorobenzene 11.36
    dimethyl carbonate 22.82
    n-octane 0.14
    formamide 35.97
    cyclopentanone 121.26
    2-pentanone 42.76
    anisole 15.2
    cyclopentyl methyl ether 24.67
    gamma-butyrolactone 113.69
    1-methoxy-2-propanol 79.42
    pyridine 42.38
    3-pentanone 29.82
    furfural 63.18
    n-dodecane 0.13
    diethylene glycol 46.6
    diisopropyl ether 2.72
    tert-amyl alcohol 24.02
    acetylacetone 50.52
    n-hexadecane 0.15
    acetophenone 24.69
    methyl propionate 35.41
    isopentyl acetate 21.48
    trichloroethylene 65.07
    n-nonanol 7.98
    cyclohexanol 18.87
    benzyl alcohol 24.45
    2-ethylhexanol 8.68
    isooctanol 8.97
    dipropyl ether 7.22
    1,2-dichlorobenzene 11.08
    ethyl lactate 23.36
    propylene carbonate 46.26
    n-methylformamide 55.97
    2-pentanol 15.86
    n-pentane 0.38
    1-propoxy-2-propanol 40.12
    1-methoxy-2-propyl acetate 37.26
    2-(2-methoxypropoxy) propanol 30.38
    mesitylene 1.84
    ε-caprolactone 60.61
    p-cymene 2.8
    epichlorohydrin 114.68
    1,1,1-trichloroethane 24.0
    2-aminoethanol 32.75
    morpholine-4-carbaldehyde 91.02
    sulfolane 161.7
    2,2,4-trimethylpentane 0.35
    2-methyltetrahydrofuran 53.69
    n-hexyl acetate 21.66
    isooctane 0.21
    2-(2-butoxyethoxy)ethanol 37.39
    sec-butyl acetate 14.39
    tert-butyl acetate 21.74
    decalin 0.45
    glycerin 45.8
    diglyme 49.2
    acrylic acid 41.25
    isopropyl myristate 6.07
    n-butyric acid 48.1
    acetyl acetate 20.62
    di(2-ethylhexyl) phthalate 12.29
    ethyl propionate 18.26
    nitromethane 94.78
    1,2-diethoxyethane 16.19
    benzonitrile 19.98
    trioctyl phosphate 8.65
    1-bromopropane 12.58
    gamma-valerolactone 148.46
    n-decanol 4.93
    triethyl phosphate 9.94
    4-methyl-2-pentanol 9.56
    propionitrile 25.42
    vinylene carbonate 38.72
    1,1,2-trichlorotrifluoroethane 93.04
    DMS 19.62
    cumene 2.94
    2-octanol 6.38
    2-hexanone 31.31
    octyl acetate 10.22
    limonene 3.89
    1,2-dimethoxyethane 53.24
    ethyl orthosilicate 8.96
    tributyl phosphate 8.92
    diacetone alcohol 47.61
    N,N-dimethylaniline 10.95
    acrylonitrile 34.03
    aniline 15.85
    1,3-propanediol 44.55
    bromobenzene 8.9
    dibromomethane 21.71
    1,1,2,2-tetrachloroethane 51.93
    2-methyl-cyclohexyl acetate 17.21
    tetrabutyl urea 13.56
    diisobutyl methanol 4.3
    2-phenylethanol 24.05
    styrene 4.56
    dioctyl adipate 12.54
    dimethyl sulfate 47.09
    ethyl butyrate 14.14
    methyl lactate 40.1
    butyl lactate 25.57
    diethyl carbonate 10.35
    propanediol butyl ether 34.51
    triethyl orthoformate 12.09
    p-tert-butyltoluene 2.46
    methyl 4-tert-butylbenzoate 24.29
    morpholine 73.27
    tert-butylamine 7.91
    n-dodecanol 2.98
    dimethoxymethane 59.25
    ethylene carbonate 32.26
    cyrene 55.33
    2-ethoxyethyl acetate 30.88
    2-ethylhexyl acetate 15.47
    1,2,4-trichlorobenzene 18.97
    4-methylpyridine 33.69
    dibutyl ether 4.6
    2,6-dimethyl-4-heptanol 4.3
    DEF 40.42
    dimethyl isosorbide 50.96
    tetrachloroethylene 25.49
    eugenol 27.14
    triacetin 25.93
    span 80 28.95
    1,4-butanediol 21.76
    1,1-dichloroethane 26.59
    2-methyl-1-pentanol 19.81
    methyl formate 36.52
    2-methyl-1-butanol 23.78
    n-decane 0.26
    butyronitrile 24.12
    3,7-dimethyl-1-octanol 6.92
    1-chlorooctane 2.33
    1-chlorotetradecane 0.71
    n-nonane 0.2
    undecane 0.17
    tert-butylcyclohexane 0.4
    cyclooctane 0.15
    cyclopentanol 33.79
    tetrahydropyran 35.33
    tert-amyl methyl ether 11.46
    2,5,8-trioxanonane 33.24
    1-hexene 2.93
    2-isopropoxyethanol 36.98
    2,2,2-trifluoroethanol 24.71
    methyl butyrate 26.49

    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