Isocetyl Salicylate

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  • Identifiers

    CAS number
    138208-68-1

    Molecular formula
    C23H38O3

    SMILES
    CC(C)CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 58.33%
    Floral 52.91%
    Balsamic 50.77%
    Sweet 42.84%
    Oily 37.56%
    Fatty 32.27%
    Fresh 32.25%
    Rose 28.47%
    Odorless 27.39%
    Clean 24.91%

     

    Flavor
    Mild 33.94%
    Bland 30.12%
    Oily 29.59%
    Waxy 28.96%
    Herbal 25.69%
    Faint 25.62%
    Woody 24.48%
    Balsam 23.51%
    Fatty 22.78%
    Odorless 22.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.8

    pKa est.
    8.1 (weak base)

    Molecular weight
    362.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    445°C

    Flash point

    • 194.04 ˚C est.

  • Synonyms

    • Isocetyl salicylate
    • Isohexadecyl salicylate
    • Dermol ICSA
    • Salicylic acid, isocetyl ester
    • UNII-YKS8M9U22B
    • Isocetyl salicylate [INCI]
    • YKS8M9U22B
    • Benzoic acid, 2-hydroxy-, isohexadecyl ester
    • 138208-68-1
    • RefChem:149152
    • SCHEMBL4922318
    • DTXSID501370875
    • Q27294564
    • 138208-68-1

  • Applications

    Isocetyl salicylate, CAS 138208-68-1, is primarily used in perfumery and cosmetics as an emollient and fragrance ingredient. In perfumery, it serves as a fragrance component and can function as a fixative to help extend aroma in blends. In cosmetics and personal care, it provides skin conditioning and slip, and can act as a solvent or carrier for active ingredients in formulations such as creams and lotions. In household products, it is used as a fragrance ingredient in cleaners, detergents, and air fresheners, contributing to scent without a strong odor profile. In industrial manufacturing, coatings and inks, it may be employed as a fragrance carrier or processing aid to improve handling of fragrance formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1194.07
    methanol 784.17
    isopropanol 1225.22
    water 0.38
    ethyl acetate 1894.12
    n-propanol 1221.38
    acetone 3140.8
    n-butanol 1126.46
    acetonitrile 871.01
    DMF 2537.69
    toluene 647.75
    isobutanol 982.93
    1,4-dioxane 1818.25
    methyl acetate 1400.37
    THF 4875.9
    2-butanone 2390.06
    n-pentanol 564.58
    sec-butanol 1069.83
    n-hexane 87.14
    ethylene glycol 42.58
    NMP 2762.35
    cyclohexane 463.92
    DMSO 2902.03
    n-butyl acetate 1156.1
    n-octanol 249.65
    chloroform 3563.36
    n-propyl acetate 1409.54
    acetic acid 800.63
    dichloromethane 4118.56
    cyclohexanone 3875.15
    propylene glycol 170.84
    isopropyl acetate 1325.22
    DMAc 2607.95
    2-ethoxyethanol 860.56
    isopentanol 959.26
    n-heptane 52.26
    ethyl formate 904.21
    1,2-dichloroethane 3553.7
    n-hexanol 367.17
    2-methoxyethanol 1305.71
    isobutyl acetate 879.75
    tetrachloromethane 767.08
    n-pentyl acetate 1197.21
    transcutol 2290.32
    n-heptanol 284.45
    ethylbenzene 278.48
    MIBK 1222.97
    2-propoxyethanol 787.02
    tert-butanol 1333.68
    MTBE 1579.61
    2-butoxyethanol 709.25
    propionic acid 862.1
    o-xylene 401.36
    formic acid 142.49
    diethyl ether 1426.98
    m-xylene 371.94
    p-xylene 429.99
    chlorobenzene 1182.72
    dimethyl carbonate 431.28
    n-octane 31.21
    formamide 442.69
    cyclopentanone 4073.23
    2-pentanone 2042.45
    anisole 663.02
    cyclopentyl methyl ether 1880.03
    gamma-butyrolactone 3513.45
    1-methoxy-2-propanol 1216.13
    pyridine 2011.63
    3-pentanone 1385.59
    furfural 1697.35
    n-dodecane 18.99
    diethylene glycol 293.14
    diisopropyl ether 392.56
    tert-amyl alcohol 1094.02
    acetylacetone 1976.99
    n-hexadecane 23.33
    acetophenone 748.86
    methyl propionate 1347.9
    isopentyl acetate 1089.57
    trichloroethylene 4692.48
    n-nonanol 237.37
    cyclohexanol 1312.48
    benzyl alcohol 490.56
    2-ethylhexanol 286.51
    isooctanol 308.58
    dipropyl ether 588.34
    1,2-dichlorobenzene 988.82
    ethyl lactate 421.77
    propylene carbonate 1703.41
    n-methylformamide 985.53
    2-pentanol 721.18
    n-pentane 92.84
    1-propoxy-2-propanol 699.1
    1-methoxy-2-propyl acetate 993.66
    2-(2-methoxypropoxy) propanol 437.6
    mesitylene 235.95
    ε-caprolactone 2781.93
    p-cymene 160.97
    epichlorohydrin 4173.23
    1,1,1-trichloroethane 3268.29
    2-aminoethanol 245.97
    morpholine-4-carbaldehyde 1850.72
    sulfolane 4189.47
    2,2,4-trimethylpentane 68.48
    2-methyltetrahydrofuran 3290.53
    n-hexyl acetate 1047.0
    isooctane 42.5
    2-(2-butoxyethoxy)ethanol 719.14
    sec-butyl acetate 941.36
    tert-butyl acetate 1504.64
    decalin 96.57
    glycerin 181.48
    diglyme 1715.84
    acrylic acid 499.71
    isopropyl myristate 297.52
    n-butyric acid 1741.37
    acetyl acetate 896.9
    di(2-ethylhexyl) phthalate 218.6
    ethyl propionate 1040.36
    nitromethane 1997.76
    1,2-diethoxyethane 1131.3
    benzonitrile 745.14
    trioctyl phosphate 176.87
    1-bromopropane 1954.13
    gamma-valerolactone 4142.92
    n-decanol 151.54
    triethyl phosphate 320.21
    4-methyl-2-pentanol 374.5
    propionitrile 899.24
    vinylene carbonate 1185.8
    1,1,2-trichlorotrifluoroethane 1720.76
    DMS 637.78
    cumene 174.55
    2-octanol 245.98
    2-hexanone 1249.67
    octyl acetate 394.84
    limonene 326.49
    1,2-dimethoxyethane 1746.24
    ethyl orthosilicate 323.1
    tributyl phosphate 245.81
    diacetone alcohol 1316.97
    N,N-dimethylaniline 377.33
    acrylonitrile 826.77
    aniline 805.57
    1,3-propanediol 590.39
    bromobenzene 1217.58
    dibromomethane 2567.28
    1,1,2,2-tetrachloroethane 4195.8
    2-methyl-cyclohexyl acetate 606.84
    tetrabutyl urea 346.79
    diisobutyl methanol 196.92
    2-phenylethanol 385.01
    styrene 379.0
    dioctyl adipate 455.2
    dimethyl sulfate 863.85
    ethyl butyrate 875.02
    methyl lactate 455.02
    butyl lactate 660.57
    diethyl carbonate 479.52
    propanediol butyl ether 476.73
    triethyl orthoformate 543.99
    p-tert-butyltoluene 155.12
    methyl 4-tert-butylbenzoate 640.67
    morpholine 2830.04
    tert-butylamine 756.07
    n-dodecanol 107.1
    dimethoxymethane 1392.87
    ethylene carbonate 1271.96
    cyrene 509.16
    2-ethoxyethyl acetate 1268.71
    2-ethylhexyl acetate 823.5
    1,2,4-trichlorobenzene 1216.86
    4-methylpyridine 1862.26
    dibutyl ether 567.42
    2,6-dimethyl-4-heptanol 196.92
    DEF 1881.5
    dimethyl isosorbide 976.98
    tetrachloroethylene 2389.89
    eugenol 493.9
    triacetin 852.55
    span 80 428.2
    1,4-butanediol 180.07
    1,1-dichloroethane 3201.28
    2-methyl-1-pentanol 525.98
    methyl formate 649.87
    2-methyl-1-butanol 892.35
    n-decane 42.25
    butyronitrile 1140.92
    3,7-dimethyl-1-octanol 281.88
    1-chlorooctane 269.61
    1-chlorotetradecane 74.91
    n-nonane 40.21
    undecane 26.58
    tert-butylcyclohexane 73.75
    cyclooctane 79.75
    cyclopentanol 1471.47
    tetrahydropyran 3424.01
    tert-amyl methyl ether 1012.79
    2,5,8-trioxanonane 826.63
    1-hexene 353.3
    2-isopropoxyethanol 663.22
    2,2,2-trifluoroethanol 342.03
    methyl butyrate 1579.79

    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