3-Pentadecanone

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  • Identifiers

    CAS number
    18787-66-1

    Molecular formula
    C15H30O

    SMILES
    CCCCCCCCCCCCC(=O)CC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 72.81%
    Waxy 67.51%
    Oily 53.4%
    Fruity 51.61%
    Floral 41.41%
    Dairy 41.06%
    Creamy 38.22%
    Citrus 36.27%
    Milky 34.7%
    Fresh 33.7%

     

    Flavor
    Waxy 66.93%
    Fatty 54.41%
    Floral 49.54%
    Fresh 45.6%
    Fruity 43.55%
    Fat 43.34%
    Soapy 41.88%
    Citrus 39.17%
    Oily 38.69%
    Coconut 37.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    8.02 (weak base)

    Molecular weight
    226.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    297°C

    Flash point

    • 120.0 ˚C est.

  • Synonyms

    • 3-Pentadecanone
    • pentadecan-3-one
    • Dodecylethyl ketone
    • 18787-66-1
    • DTXSID80338030
    • RefChem:95264
    • DTXCID60289117
    • YELXTWKVTZTDCM-UHFFFAOYSA-N
    • 3-pentadeca-none
    • SCHEMBL4361047
    • SCHEMBL4452914
    • AKOS012716975
    • DB-044654
    • Q63396142
    • 18787-66-1

  • Applications

    3-Pentadecanone (CAS 18787-66-1) is a long-chain aliphatic ketone primarily used as a fragrance ingredient and fixative to extend and stabilize scent in perfumery and cosmetics. It can also function as a lipophilic solvent or processing aid in polymer, coating, and ink systems, assisting solubility and formulation of other ingredients. In household products and air fresheners, it often contributes as a fragrance component or intermediate solvent. It is also evaluated as a synthetic intermediate for the preparation of related aroma compounds and fragrances, with use dependent on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1728.28
    methanol 1035.15
    isopropanol 2532.64
    water 0.01
    ethyl acetate 5605.69
    n-propanol 2185.53
    acetone 4880.86
    n-butanol 2490.68
    acetonitrile 2097.34
    DMF 2883.3
    toluene 1913.02
    isobutanol 2030.33
    1,4-dioxane 4760.15
    methyl acetate 2992.58
    THF 7328.28
    2-butanone 4996.19
    n-pentanol 1720.6
    sec-butanol 2546.32
    n-hexane 2167.63
    ethylene glycol 48.83
    NMP 2836.39
    cyclohexane 3510.52
    DMSO 2622.94
    n-butyl acetate 6141.34
    n-octanol 1118.74
    chloroform 7472.68
    n-propyl acetate 5343.34
    acetic acid 910.58
    dichloromethane 7209.61
    cyclohexanone 8489.44
    propylene glycol 188.34
    isopropyl acetate 4523.1
    DMAc 2591.03
    2-ethoxyethanol 1774.85
    isopentanol 2709.84
    n-heptane 1398.51
    ethyl formate 1860.41
    1,2-dichloroethane 5427.08
    n-hexanol 2004.98
    2-methoxyethanol 2163.48
    isobutyl acetate 2918.41
    tetrachloromethane 1776.75
    n-pentyl acetate 3920.45
    transcutol 7307.51
    n-heptanol 1078.22
    ethylbenzene 1369.14
    MIBK 3373.19
    2-propoxyethanol 2446.87
    tert-butanol 3685.99
    MTBE 6015.98
    2-butoxyethanol 1836.94
    propionic acid 1297.55
    o-xylene 1277.98
    formic acid 87.72
    diethyl ether 6909.81
    m-xylene 1279.77
    p-xylene 1844.7
    chlorobenzene 2555.13
    dimethyl carbonate 496.01
    n-octane 411.17
    formamide 199.91
    cyclopentanone 5863.75
    2-pentanone 5502.97
    anisole 2034.79
    cyclopentyl methyl ether 5106.63
    gamma-butyrolactone 4461.39
    1-methoxy-2-propanol 2395.31
    pyridine 4689.95
    3-pentanone 3532.54
    furfural 3039.26
    n-dodecane 166.04
    diethylene glycol 635.06
    diisopropyl ether 2302.23
    tert-amyl alcohol 3075.44
    acetylacetone 3893.54
    n-hexadecane 210.56
    acetophenone 1912.2
    methyl propionate 2662.75
    isopentyl acetate 5200.51
    trichloroethylene 7317.76
    n-nonanol 1039.24
    cyclohexanol 3432.44
    benzyl alcohol 1159.67
    2-ethylhexanol 2151.81
    isooctanol 1164.44
    dipropyl ether 5724.81
    1,2-dichlorobenzene 2461.25
    ethyl lactate 918.68
    propylene carbonate 2687.25
    n-methylformamide 989.02
    2-pentanol 2415.01
    n-pentane 1082.72
    1-propoxy-2-propanol 2981.01
    1-methoxy-2-propyl acetate 3259.69
    2-(2-methoxypropoxy) propanol 1304.26
    mesitylene 968.98
    ε-caprolactone 6033.67
    p-cymene 1031.88
    epichlorohydrin 5122.01
    1,1,1-trichloroethane 6214.51
    2-aminoethanol 273.32
    morpholine-4-carbaldehyde 3060.57
    sulfolane 4443.76
    2,2,4-trimethylpentane 409.85
    2-methyltetrahydrofuran 7414.82
    n-hexyl acetate 3834.52
    isooctane 358.91
    2-(2-butoxyethoxy)ethanol 1969.47
    sec-butyl acetate 3824.52
    tert-butyl acetate 4481.11
    decalin 921.13
    glycerin 226.84
    diglyme 4267.51
    acrylic acid 611.75
    isopropyl myristate 1317.26
    n-butyric acid 3724.88
    acetyl acetate 2229.74
    di(2-ethylhexyl) phthalate 681.97
    ethyl propionate 4109.48
    nitromethane 2106.27
    1,2-diethoxyethane 5696.29
    benzonitrile 2242.51
    trioctyl phosphate 587.52
    1-bromopropane 5414.47
    gamma-valerolactone 6335.47
    n-decanol 664.65
    triethyl phosphate 1266.89
    4-methyl-2-pentanol 1402.86
    propionitrile 2776.3
    vinylene carbonate 1949.21
    1,1,2-trichlorotrifluoroethane 2524.23
    DMS 1585.29
    cumene 910.49
    2-octanol 1075.21
    2-hexanone 4349.85
    octyl acetate 1391.0
    limonene 2053.31
    1,2-dimethoxyethane 5632.97
    ethyl orthosilicate 1373.95
    tributyl phosphate 870.39
    diacetone alcohol 2680.64
    N,N-dimethylaniline 1312.74
    acrylonitrile 2082.25
    aniline 1663.53
    1,3-propanediol 742.12
    bromobenzene 3096.14
    dibromomethane 5894.84
    1,1,2,2-tetrachloroethane 6958.82
    2-methyl-cyclohexyl acetate 2323.85
    tetrabutyl urea 1154.22
    diisobutyl methanol 1442.06
    2-phenylethanol 1227.39
    styrene 1753.19
    dioctyl adipate 1595.25
    dimethyl sulfate 767.97
    ethyl butyrate 5032.56
    methyl lactate 612.08
    butyl lactate 1799.9
    diethyl carbonate 2211.35
    propanediol butyl ether 1129.04
    triethyl orthoformate 3013.55
    p-tert-butyltoluene 936.16
    methyl 4-tert-butylbenzoate 1480.66
    morpholine 6435.96
    tert-butylamine 2811.53
    n-dodecanol 481.11
    dimethoxymethane 2133.22
    ethylene carbonate 2231.88
    cyrene 904.34
    2-ethoxyethyl acetate 3167.61
    2-ethylhexyl acetate 4189.34
    1,2,4-trichlorobenzene 2565.04
    4-methylpyridine 4773.58
    dibutyl ether 4673.77
    2,6-dimethyl-4-heptanol 1442.06
    DEF 5085.07
    dimethyl isosorbide 2328.76
    tetrachloroethylene 4442.22
    eugenol 1129.53
    triacetin 2204.76
    span 80 1383.21
    1,4-butanediol 280.34
    1,1-dichloroethane 6042.23
    2-methyl-1-pentanol 1760.03
    methyl formate 619.15
    2-methyl-1-butanol 2273.14
    n-decane 434.78
    butyronitrile 3871.26
    3,7-dimethyl-1-octanol 1452.09
    1-chlorooctane 1548.7
    1-chlorotetradecane 450.13
    n-nonane 496.92
    undecane 245.63
    tert-butylcyclohexane 770.73
    cyclooctane 874.4
    cyclopentanol 2725.49
    tetrahydropyran 9980.37
    tert-amyl methyl ether 3899.63
    2,5,8-trioxanonane 2202.25
    1-hexene 4438.45
    2-isopropoxyethanol 1741.08
    2,2,2-trifluoroethanol 246.68
    methyl butyrate 5728.37

    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