(6R,10R)-6,10,14-trimethylpentadecan-2-one

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  • Identifiers

    CAS number
    16825-16-4

    Molecular formula
    C18H36O

    SMILES
    C[C@@H](CCC[C@@H](C)CCCC(=O)C)CCCC(C)C

    Retention indicies (RI)

    • Carbowax: 2350.0

  • Odor profile

    Floral 82.96%
    Sweet 65.04%
    Woody 64.06%
    Waxy 58.51%
    Fruity 53.6%
    Fresh 48.03%
    Rose 47.05%
    Oily 43.79%
    Balsamic 42.97%
    Green 42.23%

    Scent© AI

  • Properties

    XLogP3-AA
    6.9

    Molecular weight
    268.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    316°C

    Flash point est.
    132.75 ˚C

  • Synonyms

    • (6R,10R)-6,10,14-trimethylpentadecan-2-one
    • 16825-16-4
    • (+)-Phytone
    • SCHEMBL8908184

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2057.02
    methanol 1020.24
    isopropanol 2129.19
    water 0.04
    ethyl acetate 3066.61
    n-propanol 1881.83
    acetone 2118.34
    n-butanol 2011.76
    acetonitrile 813.61
    DMF 856.94
    toluene 1108.95
    isobutanol 1513.25
    1,4-dioxane 3756.44
    methyl acetate 1380.54
    THF 5834.62
    2-butanone 2335.01
    n-pentanol 1504.28
    sec-butanol 2031.78
    n-hexane 1332.55
    ethylene glycol 32.16
    NMP 1090.0
    cyclohexane 2064.76
    DMSO 897.55
    n-butyl acetate 3087.32
    n-octanol 892.04
    chloroform 3346.84
    n-propyl acetate 2544.11
    acetic acid 605.91
    dichloromethane 2877.72
    cyclohexanone 3599.89
    propylene glycol 161.73
    isopropyl acetate 2541.97
    DMAc 1086.09
    2-ethoxyethanol 1402.38
    isopentanol 2028.06
    n-heptane 992.13
    ethyl formate 875.64
    1,2-dichloroethane 2006.19
    n-hexanol 1841.42
    2-methoxyethanol 1641.76
    isobutyl acetate 1675.14
    tetrachloromethane 783.29
    n-pentyl acetate 2065.58
    transcutol 5943.98
    n-heptanol 936.29
    ethylbenzene 782.06
    MIBK 1821.12
    2-propoxyethanol 2069.52
    tert-butanol 2801.65
    MTBE 4007.78
    2-butoxyethanol 1452.43
    propionic acid 674.96
    o-xylene 695.03
    formic acid 64.01
    diethyl ether 4295.99
    m-xylene 782.23
    p-xylene 988.66
    chlorobenzene 1101.34
    dimethyl carbonate 197.72
    n-octane 267.47
    formamide 113.41
    cyclopentanone 2318.65
    2-pentanone 2516.45
    anisole 1109.88
    cyclopentyl methyl ether 3229.39
    gamma-butyrolactone 1911.37
    1-methoxy-2-propanol 1643.96
    pyridine 1973.86
    3-pentanone 1502.32
    furfural 1251.92
    n-dodecane 103.45
    diethylene glycol 511.17
    diisopropyl ether 1597.16
    tert-amyl alcohol 2286.57
    acetylacetone 1792.1
    n-hexadecane 128.67
    acetophenone 949.02
    methyl propionate 1220.65
    isopentyl acetate 3066.84
    trichloroethylene 2628.05
    n-nonanol 820.83
    cyclohexanol 2320.05
    benzyl alcohol 676.28
    2-ethylhexanol 1706.38
    isooctanol 935.23
    dipropyl ether 3479.75
    1,2-dichlorobenzene 948.04
    ethyl lactate 516.83
    propylene carbonate 1305.82
    n-methylformamide 375.82
    2-pentanol 1727.17
    n-pentane 737.95
    1-propoxy-2-propanol 2328.86
    1-methoxy-2-propyl acetate 2170.22
    2-(2-methoxypropoxy) propanol 1034.52
    mesitylene 605.36
    ε-caprolactone 2999.14
    p-cymene 657.37
    epichlorohydrin 2637.01
    1,1,1-trichloroethane 2418.11
    2-aminoethanol 221.1
    morpholine-4-carbaldehyde 1704.22
    sulfolane 1609.98
    2,2,4-trimethylpentane 331.28
    2-methyltetrahydrofuran 5286.16
    n-hexyl acetate 2419.85
    isooctane 304.95
    2-(2-butoxyethoxy)ethanol 1656.92
    sec-butyl acetate 2107.68
    tert-butyl acetate 2702.87
    decalin 568.01
    glycerin 158.07
    diglyme 3257.21
    acrylic acid 272.71
    isopropyl myristate 814.72
    n-butyric acid 2150.62
    acetyl acetate 1188.9
    di(2-ethylhexyl) phthalate 479.25
    ethyl propionate 1831.43
    nitromethane 853.59
    1,2-diethoxyethane 3587.99
    benzonitrile 978.21
    trioctyl phosphate 392.06
    1-bromopropane 2348.82
    gamma-valerolactone 3227.77
    n-decanol 516.1
    triethyl phosphate 704.86
    4-methyl-2-pentanol 1129.75
    propionitrile 1107.98
    vinylene carbonate 877.63
    1,1,2-trichlorotrifluoroethane 1168.27
    DMS 818.19
    cumene 557.35
    2-octanol 790.16
    2-hexanone 2353.89
    octyl acetate 872.95
    limonene 1301.4
    1,2-dimethoxyethane 3347.66
    ethyl orthosilicate 878.88
    tributyl phosphate 537.82
    diacetone alcohol 1765.8
    N,N-dimethylaniline 740.91
    acrylonitrile 601.95
    aniline 941.33
    1,3-propanediol 630.94
    bromobenzene 1228.11
    dibromomethane 2355.99
    1,1,2,2-tetrachloroethane 2691.53
    2-methyl-cyclohexyl acetate 1677.72
    tetrabutyl urea 664.53
    diisobutyl methanol 1060.27
    2-phenylethanol 856.15
    styrene 827.17
    dioctyl adipate 983.24
    dimethyl sulfate 260.08
    ethyl butyrate 2520.07
    methyl lactate 327.14
    butyl lactate 1045.51
    diethyl carbonate 1169.66
    propanediol butyl ether 904.86
    triethyl orthoformate 1909.0
    p-tert-butyltoluene 638.1
    methyl 4-tert-butylbenzoate 927.71
    morpholine 4909.95
    tert-butylamine 2211.23
    n-dodecanol 366.47
    dimethoxymethane 1127.58
    ethylene carbonate 1056.71
    cyrene 661.11
    2-ethoxyethyl acetate 1938.55
    2-ethylhexyl acetate 2499.87
    1,2,4-trichlorobenzene 1068.69
    4-methylpyridine 2211.66
    dibutyl ether 2749.7
    2,6-dimethyl-4-heptanol 1060.27
    DEF 1950.94
    dimethyl isosorbide 1735.66
    tetrachloroethylene 1661.78
    eugenol 691.78
    triacetin 1413.96
    span 80 1030.7
    1,4-butanediol 218.71
    1,1-dichloroethane 2456.29
    2-methyl-1-pentanol 1446.6
    methyl formate 225.04
    2-methyl-1-butanol 1666.93
    n-decane 281.28
    butyronitrile 1936.83
    3,7-dimethyl-1-octanol 1085.79
    1-chlorooctane 888.69
    1-chlorotetradecane 257.05
    n-nonane 316.39
    undecane 156.21
    tert-butylcyclohexane 522.93
    cyclooctane 560.15
    cyclopentanol 1601.05
    tetrahydropyran 7058.01
    tert-amyl methyl ether 2484.28
    2,5,8-trioxanonane 1704.98
    1-hexene 2696.54
    2-isopropoxyethanol 1284.52
    2,2,2-trifluoroethanol 120.27
    methyl butyrate 2362.21

    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
Jasmine absolute (Egypt) 4 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.55%