Cryptomerione

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    5988-72-7

    Molecular formula
    C15H22O

    SMILES
    CC1=CC[C@H](CC1=O)C(=C)CCC=C(C)C

  • Odor profile

    Fruity 72.34%
    Sweet 57.74%
    Citrus 52.12%
    Woody 50.48%
    Fresh 50.17%
    Floral 49.74%
    Herbal 46.13%
    Spicy 42.49%
    Green 40.06%
    Mint 34.7%

    Scent© AI

  • Properties

    XLogP3-AA
    4.3

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    306°C

    Flash point est.
    120.09 ˚C

  • Synonyms

    • Cryptomerione
    • (R)-Cryptomerione
    • (R)-(-)-Cryptomerione
    • (R)-2-Methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-enone
    • (5R)-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-en-1-one
    • 2-Cyclohexen-1-one, 2-methyl-5-(5-methyl-1-methylene-4-hexenyl)-, (5R)-
    • 2-Cyclohexen-1-one, 2-methyl-5-(5-methyl-1-methylene-4-hexenyl)-, (R)-
    • 2-Cyclohexen-1-one, 2-methyl-5-(5-methyl-1-methylene-4-hexen-1-yl)-, (5R)-
    • (-)-Cryptomerione
    • 5988-72-7
    • DB-353495
    • Q67879812
    • (5R)-2-methyl-5-(5-methyl-1-methylene-4-hexenyl)-2-cyclohexen-1-one

  • Applications

    Cryptomerione (CAS 5988-72-7) is a naturally occurring terpenoid ketone isolated mainly from Japanese cedar Cryptomeria japonica and other Cupressaceae; in practice its applications are research-focused: it is used as an analytical reference standard for LC–MS/GC–MS and extract quality control, as a chemotaxonomic/authentication marker of wood/plant materials, and as a subject of bioactivity studies including antimicrobial activity against wood-decay fungi and cytotoxic effects, as well as a molecular scaffold for screening, structure–activity relationship work, and semisynthetic derivative development in drug-discovery, agrochemical, and bio-based preservative research, while it is not an approved therapeutic or broadly commercial product and is supplied primarily for R&D use under standard chemical safety practices.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 938.43
    methanol 534.55
    isopropanol 847.78
    water 0.1
    ethyl acetate 1348.77
    n-propanol 722.68
    acetone 462.45
    n-butanol 783.85
    acetonitrile 523.61
    DMF 369.68
    toluene 872.76
    isobutanol 449.11
    1,4-dioxane 1890.94
    methyl acetate 682.11
    THF 1515.78
    2-butanone 782.72
    n-pentanol 457.76
    sec-butanol 712.05
    n-hexane 97.18
    ethylene glycol 24.58
    NMP 215.89
    cyclohexane 149.19
    DMSO 237.46
    n-butyl acetate 828.41
    n-octanol 155.56
    chloroform 1909.64
    n-propyl acetate 540.53
    acetic acid 264.43
    dichloromethane 1387.34
    cyclohexanone 732.78
    propylene glycol 99.37
    isopropyl acetate 814.32
    DMAc 536.64
    2-ethoxyethanol 506.4
    isopentanol 654.85
    n-heptane 45.78
    ethyl formate 341.15
    1,2-dichloroethane 851.97
    n-hexanol 601.08
    2-methoxyethanol 762.08
    isobutyl acetate 360.51
    tetrachloromethane 213.83
    n-pentyl acetate 331.94
    transcutol 3018.7
    n-heptanol 196.22
    ethylbenzene 378.82
    MIBK 446.18
    2-propoxyethanol 810.49
    tert-butanol 968.19
    MTBE 1279.67
    2-butoxyethanol 377.23
    propionic acid 227.14
    o-xylene 352.63
    formic acid 51.81
    diethyl ether 1508.51
    m-xylene 455.55
    p-xylene 400.93
    chlorobenzene 514.32
    dimethyl carbonate 142.88
    n-octane 17.2
    formamide 112.78
    cyclopentanone 511.9
    2-pentanone 683.08
    anisole 656.88
    cyclopentyl methyl ether 669.13
    gamma-butyrolactone 464.05
    1-methoxy-2-propanol 721.05
    pyridine 1151.27
    3-pentanone 450.77
    furfural 487.2
    n-dodecane 12.06
    diethylene glycol 293.23
    diisopropyl ether 340.15
    tert-amyl alcohol 735.17
    acetylacetone 572.19
    n-hexadecane 14.45
    acetophenone 416.09
    methyl propionate 508.2
    isopentyl acetate 750.39
    trichloroethylene 1474.9
    n-nonanol 154.92
    cyclohexanol 472.29
    benzyl alcohol 390.32
    2-ethylhexanol 325.0
    isooctanol 172.21
    dipropyl ether 508.89
    1,2-dichlorobenzene 418.94
    ethyl lactate 156.22
    propylene carbonate 352.28
    n-methylformamide 179.6
    2-pentanol 588.91
    n-pentane 85.25
    1-propoxy-2-propanol 670.68
    1-methoxy-2-propyl acetate 803.87
    2-(2-methoxypropoxy) propanol 454.13
    mesitylene 243.44
    ε-caprolactone 695.44
    p-cymene 167.46
    epichlorohydrin 1018.64
    1,1,1-trichloroethane 870.14
    2-aminoethanol 138.74
    morpholine-4-carbaldehyde 590.58
    sulfolane 289.75
    2,2,4-trimethylpentane 47.37
    2-methyltetrahydrofuran 1315.26
    n-hexyl acetate 438.44
    isooctane 45.38
    2-(2-butoxyethoxy)ethanol 687.69
    sec-butyl acetate 514.75
    tert-butyl acetate 730.82
    decalin 75.16
    glycerin 108.9
    diglyme 1178.29
    acrylic acid 123.37
    isopropyl myristate 178.65
    n-butyric acid 624.17
    acetyl acetate 500.73
    di(2-ethylhexyl) phthalate 153.5
    ethyl propionate 477.21
    nitromethane 384.93
    1,2-diethoxyethane 1333.58
    benzonitrile 472.54
    trioctyl phosphate 89.84
    1-bromopropane 718.97
    gamma-valerolactone 849.23
    n-decanol 109.28
    triethyl phosphate 176.72
    4-methyl-2-pentanol 327.45
    propionitrile 511.05
    vinylene carbonate 313.53
    1,1,2-trichlorotrifluoroethane 391.06
    DMS 317.49
    cumene 227.18
    2-octanol 132.27
    2-hexanone 473.3
    octyl acetate 201.08
    limonene 230.61
    1,2-dimethoxyethane 1080.79
    ethyl orthosilicate 197.17
    tributyl phosphate 129.39
    diacetone alcohol 544.36
    N,N-dimethylaniline 364.16
    acrylonitrile 425.23
    aniline 586.78
    1,3-propanediol 355.92
    bromobenzene 575.58
    dibromomethane 979.52
    1,1,2,2-tetrachloroethane 1190.47
    2-methyl-cyclohexyl acetate 338.71
    tetrabutyl urea 148.87
    diisobutyl methanol 198.43
    2-phenylethanol 442.42
    styrene 462.14
    dioctyl adipate 242.11
    dimethyl sulfate 120.72
    ethyl butyrate 558.03
    methyl lactate 148.27
    butyl lactate 219.6
    diethyl carbonate 338.63
    propanediol butyl ether 292.83
    triethyl orthoformate 360.49
    p-tert-butyltoluene 171.39
    methyl 4-tert-butylbenzoate 316.41
    morpholine 2178.95
    tert-butylamine 665.74
    n-dodecanol 80.28
    dimethoxymethane 538.42
    ethylene carbonate 293.08
    cyrene 232.27
    2-ethoxyethyl acetate 555.11
    2-ethylhexyl acetate 544.18
    1,2,4-trichlorobenzene 464.22
    4-methylpyridine 1190.63
    dibutyl ether 367.43
    2,6-dimethyl-4-heptanol 198.43
    DEF 603.88
    dimethyl isosorbide 676.61
    tetrachloroethylene 662.66
    eugenol 295.82
    triacetin 371.29
    span 80 335.98
    1,4-butanediol 92.29
    1,1-dichloroethane 1017.97
    2-methyl-1-pentanol 438.29
    methyl formate 102.62
    2-methyl-1-butanol 544.56
    n-decane 23.74
    butyronitrile 711.89
    3,7-dimethyl-1-octanol 245.89
    1-chlorooctane 120.68
    1-chlorotetradecane 46.14
    n-nonane 21.24
    undecane 16.2
    tert-butylcyclohexane 76.31
    cyclooctane 47.27
    cyclopentanol 290.9
    tetrahydropyran 1939.96
    tert-amyl methyl ether 686.86
    2,5,8-trioxanonane 766.78
    1-hexene 401.16
    2-isopropoxyethanol 402.26
    2,2,2-trifluoroethanol 58.44
    methyl butyrate 575.46

    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

Botanical

Name CAS Botanical Proportion
Carrot seed (China) 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.08%