Cryptocapsin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    7044-42-0

    Molecular formula
    C40H56O2

    SMILES
    CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)[C@@]2(C[C@H](CC2(C)C)O)C)/C)/C

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  • Odor profile

    Fragrance
    Woody 66.97%
    Fruity 48.51%
    Floral 46.89%
    Sweet 45.91%
    Balsamic 43.53%
    Berry 37.9%
    Tropical 36.36%
    Powdery 35.05%
    Sandalwood 32.82%
    Oily 31.52%

     

    Flavor
    Balsam 32.11%
    Oriental 24.36%
    Balsamic 23.43%
    Diterpene 20.51%
    Low 20.49%
    Spicy 19.75%
    Mouldy 19.46%
    Opoponax 19.41%
    Ocimene 19.38%
    Basil 19.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.9

    pKa est.
    -16.21 (strong acid)

    Molecular weight
    568.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    920°C

    Flash point

    • 114.78 ˚C est.

  • Synonyms

    • Cryptocapsin
    • 7044-42-0
    • (3'S,5'R)-3'-Hydroxy-beta,kappa-caroten-6'-one
    • SCHEMBL983604
    • CHEBI:176096
    • DTXSID001317913
    • LMPR01070049
    • Q63408946
    • (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-19-(2,6,6-trimethylcyclohexen-1-yl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
    • 7044-42-0

  • Applications

    Cryptocapsin (CAS 7044-42-0) is used as an odorant in fragrance applications and is commonly evaluated as a fragrance ingredient; it may also be considered for use as a flavor/aroma component in flavor formulations. It can be used in cosmetics and personal care products as a scent ingredient. In industrial manufacturing, it may serve as an intermediate in organic synthesis. It may also appear in cleaning products and household formulations to impart a specific aroma. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.48
    methanol 0.49
    isopropanol 0.18
    water 0.0
    ethyl acetate 2.18
    n-propanol 0.7
    acetone 1.29
    n-butanol 0.79
    acetonitrile 0.26
    DMF 3.63
    toluene 3.75
    isobutanol 0.42
    1,4-dioxane 4.95
    methyl acetate 1.38
    THF 17.38
    2-butanone 3.02
    n-pentanol 1.25
    sec-butanol 0.52
    n-hexane 0.47
    ethylene glycol 0.01
    NMP 14.77
    cyclohexane 0.3
    DMSO 1.66
    n-butyl acetate 3.82
    n-octanol 1.02
    chloroform 17.3
    n-propyl acetate 3.06
    acetic acid 0.91
    dichloromethane 11.67
    cyclohexanone 6.85
    propylene glycol 0.06
    isopropyl acetate 2.11
    DMAc 13.61
    2-ethoxyethanol 2.24
    isopentanol 0.79
    n-heptane 0.38
    ethyl formate 0.94
    1,2-dichloroethane 3.95
    n-hexanol 1.48
    2-methoxyethanol 1.33
    isobutyl acetate 3.07
    tetrachloromethane 1.72
    n-pentyl acetate 4.72
    transcutol 15.44
    n-heptanol 1.54
    ethylbenzene 3.7
    MIBK 2.66
    2-propoxyethanol 4.9
    tert-butanol 0.3
    MTBE 2.39
    2-butoxyethanol 5.06
    propionic acid 0.66
    o-xylene 2.47
    formic acid 0.25
    diethyl ether 2.17
    m-xylene 2.63
    p-xylene 3.4
    chlorobenzene 4.48
    dimethyl carbonate 1.15
    n-octane 0.13
    formamide 0.33
    cyclopentanone 7.57
    2-pentanone 2.81
    anisole 8.43
    cyclopentyl methyl ether 5.67
    gamma-butyrolactone 6.73
    1-methoxy-2-propanol 1.59
    pyridine 7.14
    3-pentanone 3.07
    furfural 6.91
    n-dodecane 0.07
    diethylene glycol 0.66
    diisopropyl ether 0.84
    tert-amyl alcohol 0.93
    acetylacetone 3.05
    n-hexadecane 0.08
    acetophenone 6.89
    methyl propionate 2.21
    isopentyl acetate 5.17
    trichloroethylene 14.75
    n-nonanol 1.43
    cyclohexanol 0.82
    benzyl alcohol 2.42
    2-ethylhexanol 1.77
    isooctanol 1.58
    dipropyl ether 4.08
    1,2-dichlorobenzene 6.02
    ethyl lactate 1.3
    propylene carbonate 3.67
    n-methylformamide 0.78
    2-pentanol 0.47
    n-pentane 0.19
    1-propoxy-2-propanol 3.86
    1-methoxy-2-propyl acetate 6.93
    2-(2-methoxypropoxy) propanol 8.41
    mesitylene 1.52
    ε-caprolactone 8.36
    p-cymene 1.96
    epichlorohydrin 11.21
    1,1,1-trichloroethane 4.61
    2-aminoethanol 0.11
    morpholine-4-carbaldehyde 11.43
    sulfolane 10.43
    2,2,4-trimethylpentane 0.36
    2-methyltetrahydrofuran 8.24
    n-hexyl acetate 5.45
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 7.82
    sec-butyl acetate 3.68
    tert-butyl acetate 4.31
    decalin 0.57
    glycerin 0.13
    diglyme 17.89
    acrylic acid 0.55
    isopropyl myristate 2.2
    n-butyric acid 1.72
    acetyl acetate 1.69
    di(2-ethylhexyl) phthalate 2.99
    ethyl propionate 3.67
    nitromethane 1.92
    1,2-diethoxyethane 6.26
    benzonitrile 1.7
    trioctyl phosphate 1.47
    1-bromopropane 3.36
    gamma-valerolactone 15.49
    n-decanol 0.8
    triethyl phosphate 3.73
    4-methyl-2-pentanol 0.58
    propionitrile 0.57
    vinylene carbonate 3.61
    1,1,2-trichlorotrifluoroethane 5.67
    DMS 2.7
    cumene 2.5
    2-octanol 0.85
    2-hexanone 4.52
    octyl acetate 2.64
    limonene 2.52
    1,2-dimethoxyethane 8.16
    ethyl orthosilicate 4.79
    tributyl phosphate 1.88
    diacetone alcohol 2.76
    N,N-dimethylaniline 7.16
    acrylonitrile 0.61
    aniline 1.87
    1,3-propanediol 0.27
    bromobenzene 6.42
    dibromomethane 6.65
    1,1,2,2-tetrachloroethane 10.73
    2-methyl-cyclohexyl acetate 7.26
    tetrabutyl urea 3.28
    diisobutyl methanol 1.1
    2-phenylethanol 3.67
    styrene 3.32
    dioctyl adipate 4.59
    dimethyl sulfate 2.86
    ethyl butyrate 5.3
    methyl lactate 0.81
    butyl lactate 2.97
    diethyl carbonate 2.68
    propanediol butyl ether 2.0
    triethyl orthoformate 6.73
    p-tert-butyltoluene 2.0
    methyl 4-tert-butylbenzoate 9.84
    morpholine 6.33
    tert-butylamine 0.23
    n-dodecanol 0.47
    dimethoxymethane 3.38
    ethylene carbonate 2.49
    cyrene 9.0
    2-ethoxyethyl acetate 7.44
    2-ethylhexyl acetate 5.6
    1,2,4-trichlorobenzene 8.11
    4-methylpyridine 6.4
    dibutyl ether 2.72
    2,6-dimethyl-4-heptanol 1.1
    DEF 4.54
    dimethyl isosorbide 19.62
    tetrachloroethylene 5.97
    eugenol 7.39
    triacetin 6.58
    span 80 5.63
    1,4-butanediol 0.14
    1,1-dichloroethane 2.61
    2-methyl-1-pentanol 1.98
    methyl formate 0.62
    2-methyl-1-butanol 1.01
    n-decane 0.19
    butyronitrile 0.84
    3,7-dimethyl-1-octanol 1.32
    1-chlorooctane 1.12
    1-chlorotetradecane 0.31
    n-nonane 0.16
    undecane 0.11
    tert-butylcyclohexane 0.61
    cyclooctane 0.2
    cyclopentanol 0.74
    tetrahydropyran 5.74
    tert-amyl methyl ether 3.93
    2,5,8-trioxanonane 11.72
    1-hexene 1.85
    2-isopropoxyethanol 2.09
    2,2,2-trifluoroethanol 0.37
    methyl butyrate 4.3

    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