3-Octadecanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    18261-92-2

    Molecular formula
    C18H36O

    SMILES
    CCCCCCCCCCCCCCCC(=O)CC

  • Odor profile

    Fatty 71.04%
    Waxy 69.33%
    Oily 51.93%
    Dairy 34.76%
    Fruity 34.69%
    Creamy 33.42%
    Milky 29.54%
    Sweet 26.43%
    Orris 26.05%
    Coconut 25.97%

    Scent© AI

  • Properties

    XLogP3-AA
    7.8

    pKa est.
    7.93 (neutral)

    Molecular weight
    268.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    343°C

    Flash point est.
    143.47 ˚C

  • Synonyms

    • 3-Octadecanone
    • Octadecan-3-one
    • 18261-92-2
    • EINECS 242-132-3
    • DTXSID10171311
    • NSC 229418
    • NSC-229418
    • ETHYL PENTADECYL KETONE
    • Aethylpentadecylketon
    • NSC229418
    • 6E54YCX3QT
    • SCHEMBL2782616
    • DTXCID9093802
    • AKOS024333781
    • FO68105
    • CS-0449193
    • NS00051836
    • Q63409471
    • 242-132-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 246.31
    methanol 166.39
    isopropanol 438.2
    water 0.01
    ethyl acetate 1984.23
    n-propanol 412.96
    acetone 1057.56
    n-butanol 557.97
    acetonitrile 448.16
    DMF 1081.79
    toluene 683.41
    isobutanol 459.26
    1,4-dioxane 1540.89
    methyl acetate 988.68
    THF 2958.47
    2-butanone 1527.85
    n-pentanol 381.07
    sec-butanol 559.68
    n-hexane 467.89
    ethylene glycol 10.09
    NMP 1740.37
    cyclohexane 1540.02
    DMSO 965.36
    n-butyl acetate 2379.68
    n-octanol 413.77
    chloroform 3308.68
    n-propyl acetate 2135.67
    acetic acid 281.81
    dichloromethane 3260.99
    cyclohexanone 3753.11
    propylene glycol 42.96
    isopropyl acetate 1833.29
    DMAc 1432.03
    2-ethoxyethanol 544.88
    isopentanol 732.38
    n-heptane 518.35
    ethyl formate 672.51
    1,2-dichloroethane 2436.31
    n-hexanol 484.85
    2-methoxyethanol 601.91
    isobutyl acetate 1339.52
    tetrachloromethane 933.51
    n-pentyl acetate 2169.55
    transcutol 3020.79
    n-heptanol 382.83
    ethylbenzene 567.76
    MIBK 1471.41
    2-propoxyethanol 735.99
    tert-butanol 822.78
    MTBE 1664.42
    2-butoxyethanol 769.04
    propionic acid 402.86
    o-xylene 596.25
    formic acid 28.35
    diethyl ether 1636.66
    m-xylene 546.3
    p-xylene 847.35
    chlorobenzene 1127.33
    dimethyl carbonate 241.44
    n-octane 164.45
    formamide 72.25
    cyclopentanone 2856.44
    2-pentanone 1773.12
    anisole 950.23
    cyclopentyl methyl ether 2204.99
    gamma-butyrolactone 2433.67
    1-methoxy-2-propanol 750.31
    pyridine 1712.74
    3-pentanone 1428.97
    furfural 1596.41
    n-dodecane 71.52
    diethylene glycol 193.41
    diisopropyl ether 855.73
    tert-amyl alcohol 851.27
    acetylacetone 1748.48
    n-hexadecane 91.36
    acetophenone 1047.7
    methyl propionate 1087.47
    isopentyl acetate 2145.34
    trichloroethylene 3527.98
    n-nonanol 429.07
    cyclohexanol 1197.08
    benzyl alcohol 458.5
    2-ethylhexanol 694.84
    isooctanol 456.61
    dipropyl ether 2114.31
    1,2-dichlorobenzene 1318.91
    ethyl lactate 447.96
    propylene carbonate 1500.35
    n-methylformamide 330.51
    2-pentanol 596.36
    n-pentane 254.63
    1-propoxy-2-propanol 1039.21
    1-methoxy-2-propyl acetate 1497.68
    2-(2-methoxypropoxy) propanol 639.77
    mesitylene 458.24
    ε-caprolactone 2860.35
    p-cymene 520.47
    epichlorohydrin 2491.54
    1,1,1-trichloroethane 3007.41
    2-aminoethanol 59.73
    morpholine-4-carbaldehyde 1538.58
    sulfolane 2837.22
    2,2,4-trimethylpentane 171.72
    2-methyltetrahydrofuran 2787.39
    n-hexyl acetate 1936.23
    isooctane 130.48
    2-(2-butoxyethoxy)ethanol 916.87
    sec-butyl acetate 1728.23
    tert-butyl acetate 2110.52
    decalin 419.96
    glycerin 67.21
    diglyme 2192.59
    acrylic acid 212.59
    isopropyl myristate 719.03
    n-butyric acid 1280.09
    acetyl acetate 1033.7
    di(2-ethylhexyl) phthalate 373.76
    ethyl propionate 1826.25
    nitromethane 790.81
    1,2-diethoxyethane 2291.06
    benzonitrile 894.48
    trioctyl phosphate 323.25
    1-bromopropane 1913.05
    gamma-valerolactone 3113.99
    n-decanol 276.94
    triethyl phosphate 788.52
    4-methyl-2-pentanol 447.06
    propionitrile 707.35
    vinylene carbonate 1044.34
    1,1,2-trichlorotrifluoroethane 1271.11
    DMS 839.67
    cumene 408.86
    2-octanol 417.13
    2-hexanone 1614.21
    octyl acetate 762.47
    limonene 1069.62
    1,2-dimethoxyethane 2058.32
    ethyl orthosilicate 822.85
    tributyl phosphate 483.09
    diacetone alcohol 1219.1
    N,N-dimethylaniline 662.41
    acrylonitrile 582.95
    aniline 580.87
    1,3-propanediol 184.98
    bromobenzene 1408.66
    dibromomethane 2423.69
    1,1,2,2-tetrachloroethane 3491.62
    2-methyl-cyclohexyl acetate 1337.63
    tetrabutyl urea 675.73
    diisobutyl methanol 578.78
    2-phenylethanol 485.5
    styrene 690.7
    dioctyl adipate 924.33
    dimethyl sulfate 462.85
    ethyl butyrate 2398.99
    methyl lactate 273.28
    butyl lactate 953.23
    diethyl carbonate 1100.88
    propanediol butyl ether 482.16
    triethyl orthoformate 1615.48
    p-tert-butyltoluene 466.6
    methyl 4-tert-butylbenzoate 953.89
    morpholine 2042.87
    tert-butylamine 685.48
    n-dodecanol 202.82
    dimethoxymethane 817.75
    ethylene carbonate 1171.9
    cyrene 553.49
    2-ethoxyethyl acetate 1693.28
    2-ethylhexyl acetate 1864.04
    1,2,4-trichlorobenzene 1410.16
    4-methylpyridine 1778.76
    dibutyl ether 1929.19
    2,6-dimethyl-4-heptanol 578.78
    DEF 2061.52
    dimethyl isosorbide 1420.85
    tetrachloroethylene 2254.52
    eugenol 654.8
    triacetin 1375.09
    span 80 687.21
    1,4-butanediol 74.26
    1,1-dichloroethane 2299.77
    2-methyl-1-pentanol 501.46
    methyl formate 229.53
    2-methyl-1-butanol 610.41
    n-decane 182.94
    butyronitrile 1054.57
    3,7-dimethyl-1-octanol 567.8
    1-chlorooctane 739.05
    1-chlorotetradecane 220.52
    n-nonane 196.42
    undecane 104.09
    tert-butylcyclohexane 322.26
    cyclooctane 378.66
    cyclopentanol 953.19
    tetrahydropyran 3168.21
    tert-amyl methyl ether 1397.89
    2,5,8-trioxanonane 1176.29
    1-hexene 910.55
    2-isopropoxyethanol 581.07
    2,2,2-trifluoroethanol 119.28
    methyl butyrate 2459.17

    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

Botanical

Name CAS Botanical Proportion
Cochlospermum tinctorium tubercle Cochlospermum tinctorium (Hook.), fam. Bixaceae (Cochlospermaceae) 1.3%