delta-Octadecalactone

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  • Identifiers

    CAS number
    1227-51-6

    Molecular formula
    C18H34O2

    SMILES
    CCCCCCCCCCCCCC1CCCC(=O)O1

  • Odor profile

    Fragrance
    Fatty 83.63%
    Waxy 76.08%
    Oily 53.06%
    Creamy 51.13%
    Dairy 45.81%
    Buttery 39.5%
    Milky 39.15%
    Sweet 36.63%
    Coconut 32.29%
    Peach 27.2%

     

    Flavor
    Fatty 70.44%
    Waxy 68.93%
    Creamy 59.82%
    Coconut 55.89%
    Sweet 51.06%
    Oily 50.61%
    Fruity 50.51%
    Peach 48.68%
    Fat 40.28%
    Milky 36.6%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    7.36 (neutral)

    Molecular weight
    282.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    376°C

    Flash point

    • 157.23 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 6-tridecyloxan-2-one
    • 2H-Pyran-2-one, tetrahydro-6-tridecyl-
    • 1227-51-6
    • delta-Stearolactone
    • delta-Octadecalactone
    • 5-Octadecanolide
    • 6-Tridecyltetrahydro-2H-pyran-2-one
    • FEMA No. 4447
    • UNII-ILR1UO4M14
    • (+-)-delta-Octadecalactone
    • ILR1UO4M14
    • delta-Octadecalactone, (+-)-
    • Octadecanoic acid, 5-hydroxy-, .delta.-lactone
    • .DELTA.-STEAROLACTONE
    • .DELTA.-OCTADECALACTONE
    • (+/-)-.DELTA.-OCTADECALACTONE
    • .DELTA.-OCTADECALACTONE, (+/-)-
    • Octadecanoic acid, 5-hydroxy-, delta-lactone
    • SCHEMBL1254547
    • DTXSID40924236
    • (+/-)-DELTA-OCTADECALACTONE
    • 6-Tridecyltetrahydro-2H-pyran-2-one #
    • DELTA-OCTADECALACTONE, (+/-)-
    • G89971
    • Q27280781

  • Applications

    delta-Octadecalactone (CAS 1227-51-6) is primarily used as a fragrance ingredient in perfumery, offering fruity, creamy notes and can act as a fixative to extend scent longevity; it may also be evaluated as a flavor/aroma component in limited flavor applications. In cosmetics and personal care, it is used as a fragrance additive to impart fruity and creamy character in creams, lotions, and perfumes. It also finds use in household products such as air fresheners and cleaning agents to enhance fragrance, and in coatings and inks as a fragrance additive where a lasting aroma is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 388.43
    methanol 281.73
    isopropanol 551.19
    water 0.02
    ethyl acetate 1786.6
    n-propanol 485.25
    acetone 1437.89
    n-butanol 589.03
    acetonitrile 564.52
    DMF 1310.84
    toluene 651.22
    isobutanol 479.17
    1,4-dioxane 1352.17
    methyl acetate 991.22
    THF 2869.22
    2-butanone 1472.33
    n-pentanol 365.37
    sec-butanol 542.23
    n-hexane 199.47
    ethylene glycol 14.94
    NMP 1850.12
    cyclohexane 660.58
    DMSO 1335.37
    n-butyl acetate 1652.55
    n-octanol 300.23
    chloroform 3367.35
    n-propyl acetate 1698.38
    acetic acid 377.65
    dichloromethane 3548.34
    cyclohexanone 3359.8
    propylene glycol 58.12
    isopropyl acetate 1532.37
    DMAc 1576.3
    2-ethoxyethanol 563.79
    isopentanol 694.68
    n-heptane 149.14
    ethyl formate 681.18
    1,2-dichloroethane 2562.48
    n-hexanol 380.18
    2-methoxyethanol 690.01
    isobutyl acetate 1042.57
    tetrachloromethane 664.93
    n-pentyl acetate 1596.09
    transcutol 2806.13
    n-heptanol 268.13
    ethylbenzene 395.82
    MIBK 1244.51
    2-propoxyethanol 696.4
    tert-butanol 766.99
    MTBE 1344.56
    2-butoxyethanol 618.78
    propionic acid 490.65
    o-xylene 473.51
    formic acid 47.78
    diethyl ether 1290.3
    m-xylene 455.96
    p-xylene 589.03
    chlorobenzene 1153.39
    dimethyl carbonate 267.41
    n-octane 59.78
    formamide 114.33
    cyclopentanone 2902.41
    2-pentanone 1672.08
    anisole 754.27
    cyclopentyl methyl ether 1757.76
    gamma-butyrolactone 2517.21
    1-methoxy-2-propanol 777.3
    pyridine 1752.06
    3-pentanone 1193.64
    furfural 1604.06
    n-dodecane 38.24
    diethylene glycol 227.79
    diisopropyl ether 535.91
    tert-amyl alcohol 695.23
    acetylacetone 1674.52
    n-hexadecane 49.47
    acetophenone 870.76
    methyl propionate 1049.97
    isopentyl acetate 1506.98
    trichloroethylene 3688.09
    n-nonanol 296.89
    cyclohexanol 1021.9
    benzyl alcohol 434.04
    2-ethylhexanol 415.71
    isooctanol 298.45
    dipropyl ether 1003.18
    1,2-dichlorobenzene 1189.96
    ethyl lactate 402.36
    propylene carbonate 1475.84
    n-methylformamide 457.19
    2-pentanol 532.86
    n-pentane 131.45
    1-propoxy-2-propanol 776.44
    1-methoxy-2-propyl acetate 1257.91
    2-(2-methoxypropoxy) propanol 549.9
    mesitylene 361.58
    ε-caprolactone 2640.68
    p-cymene 301.38
    epichlorohydrin 2611.05
    1,1,1-trichloroethane 2604.63
    2-aminoethanol 86.65
    morpholine-4-carbaldehyde 1500.29
    sulfolane 2952.07
    2,2,4-trimethylpentane 90.84
    2-methyltetrahydrofuran 2374.16
    n-hexyl acetate 1462.63
    isooctane 66.03
    2-(2-butoxyethoxy)ethanol 810.19
    sec-butyl acetate 1236.03
    tert-butyl acetate 1646.84
    decalin 203.84
    glycerin 84.41
    diglyme 1753.8
    acrylic acid 266.73
    isopropyl myristate 492.85
    n-butyric acid 1327.04
    acetyl acetate 969.66
    di(2-ethylhexyl) phthalate 325.79
    ethyl propionate 1363.92
    nitromethane 990.67
    1,2-diethoxyethane 1575.56
    benzonitrile 833.61
    trioctyl phosphate 252.68
    1-bromopropane 1643.6
    gamma-valerolactone 3129.3
    n-decanol 195.39
    triethyl phosphate 499.3
    4-methyl-2-pentanol 363.45
    propionitrile 708.28
    vinylene carbonate 1103.41
    1,1,2-trichlorotrifluoroethane 1252.53
    DMS 778.47
    cumene 277.07
    2-octanol 280.01
    2-hexanone 1253.92
    octyl acetate 579.58
    limonene 592.51
    1,2-dimethoxyethane 1562.42
    ethyl orthosilicate 486.23
    tributyl phosphate 379.57
    diacetone alcohol 1071.2
    N,N-dimethylaniline 473.12
    acrylonitrile 660.6
    aniline 632.13
    1,3-propanediol 252.08
    bromobenzene 1437.48
    dibromomethane 2395.85
    1,1,2,2-tetrachloroethane 3334.55
    2-methyl-cyclohexyl acetate 890.46
    tetrabutyl urea 510.99
    diisobutyl methanol 308.83
    2-phenylethanol 445.55
    styrene 529.44
    dioctyl adipate 707.22
    dimethyl sulfate 518.77
    ethyl butyrate 1439.69
    methyl lactate 304.86
    butyl lactate 752.37
    diethyl carbonate 726.8
    propanediol butyl ether 447.64
    triethyl orthoformate 913.96
    p-tert-butyltoluene 273.31
    methyl 4-tert-butylbenzoate 782.54
    morpholine 1817.71
    tert-butylamine 551.25
    n-dodecanol 143.68
    dimethoxymethane 845.42
    ethylene carbonate 1150.86
    cyrene 489.7
    2-ethoxyethyl acetate 1424.01
    2-ethylhexyl acetate 1255.85
    1,2,4-trichlorobenzene 1334.69
    4-methylpyridine 1691.83
    dibutyl ether 1077.94
    2,6-dimethyl-4-heptanol 308.83
    DEF 1771.37
    dimethyl isosorbide 1149.24
    tetrachloroethylene 2107.29
    eugenol 546.09
    triacetin 1150.96
    span 80 579.3
    1,4-butanediol 93.04
    1,1-dichloroethane 2428.39
    2-methyl-1-pentanol 422.87
    methyl formate 285.98
    2-methyl-1-butanol 570.37
    n-decane 82.82
    butyronitrile 975.23
    3,7-dimethyl-1-octanol 375.19
    1-chlorooctane 435.09
    1-chlorotetradecane 141.42
    n-nonane 80.59
    undecane 52.79
    tert-butylcyclohexane 147.71
    cyclooctane 158.14
    cyclopentanol 906.8
    tetrahydropyran 2435.32
    tert-amyl methyl ether 993.17
    2,5,8-trioxanonane 983.48
    1-hexene 558.17
    2-isopropoxyethanol 532.78
    2,2,2-trifluoroethanol 151.71
    methyl butyrate 1923.91

    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