n-Octanoyl-5-salicylic acid

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  • Identifiers

    CAS number
    78418-01-6

    Molecular formula
    C15H20O4

    SMILES
    CCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Balsamic 41.34%
    Sweet 40.52%
    Floral 38.65%
    Herbal 36.42%
    Odorless 32.63%
    Spicy 31.55%
    Milky 28.62%
    Green 28.05%
    Fatty 28.02%
    Creamy 24.98%

     

    Flavor
    Odorless 37.13%
    Herbal 36.45%
    Mild 28.55%
    Bitter 27.88%
    Bland 23.93%
    Faint 23.16%
    Woody 22.55%
    Lovage 22.12%
    Valerian 21.29%
    Ethyl benzoate 20.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    7.29 (neutral)

    Molecular weight
    264.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    397°C

    Flash point

    • 203.67 ˚C est.

  • Synonyms

    • 78418-01-6
    • 5-Octanoylsalicylic acid
    • Capryloyl salicylic acid
    • 5F7PJF6AA4
    • MEXORYL SAB
    • O-octanoyloxybenzoic acid
    • RefChem:830873
    • n-octanoyl-5-salicylic acid
    • Dr.Different VITAACNAL TX Night
    • 417-790-1
    • 2-octanoyloxybenzoic acid
    • 2-hydroxy-5-octanoylbenzoic acid
    • Benzoic acid, 2-hydroxy-5-(1-oxooctyl)-
    • MFCD11846247
    • 2-hydroxy-5-octanoyl-benzoic Acid
    • 2-Hydroxy-5-n-octanoylbenzoic Acid
    • 2-hydroxy-5-(1-oxooctyl)Benzoic acid
    • UNII-5F7PJF6AA4
    • beta-Lipohydroxy acid
    • 5-octanoylsalicylic-acid
    • 5-octanoyl salicylic acid
    • 5-n-octanoylsalicylic acid
    • SCHEMBL82454
    • 2-hydroxy-5-octanoylbenzoicacid
    • SCHEMBL29406518
    • DTXSID801025584
    • AKOS027382907
    • 2-hydroxy-5-(1-oxooctyl)- Benzoic acid
    • AC-31749
    • DA-26129
    • DS-14508
    • FO153123
    • CS-0152294
    • H1712
    • NS00011520
    • 418O016
    • Q209407
    • 78418-01-6

  • Applications

    n-Octanoyl-5-salicylic acid (CAS 78418-01-6) is primarily used as a specialty intermediate in chemical synthesis, particularly for fragrance esters and cosmetic derivatives, where its long octanoyl chain can influence lipophilicity and scent release. It may be used as a fragrance ingredient and a fixative in perfumery, helping to extend fragrance duration. In industry, it is evaluated as a building block for specialty additives in polymers, coatings, and inks, including ester-based modifiers and compatibility enhancers. It can serve as a precursor in pharmaceutical synthesis and in the development of advanced materials, with handling and use governed by applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 983.57
    methanol 1395.69
    isopropanol 409.61
    water 0.07
    ethyl acetate 339.7
    n-propanol 723.62
    acetone 684.89
    n-butanol 365.63
    acetonitrile 141.65
    DMF 3090.67
    toluene 36.95
    isobutanol 313.37
    1,4-dioxane 166.28
    methyl acetate 274.17
    THF 781.9
    2-butanone 467.89
    n-pentanol 180.88
    sec-butanol 291.15
    n-hexane 1.25
    ethylene glycol 139.99
    NMP 1675.39
    cyclohexane 1.08
    DMSO 3851.43
    n-butyl acetate 156.41
    n-octanol 25.83
    chloroform 99.01
    n-propyl acetate 142.76
    acetic acid 303.94
    dichloromethane 144.17
    cyclohexanone 459.4
    propylene glycol 365.19
    isopropyl acetate 209.17
    DMAc 1453.69
    2-ethoxyethanol 438.24
    isopentanol 248.82
    n-heptane 0.49
    ethyl formate 98.23
    1,2-dichloroethane 212.11
    n-hexanol 107.34
    2-methoxyethanol 1305.93
    isobutyl acetate 86.55
    tetrachloromethane 10.18
    n-pentyl acetate 73.89
    transcutol 1146.09
    n-heptanol 41.6
    ethylbenzene 18.86
    MIBK 235.49
    2-propoxyethanol 442.31
    tert-butanol 448.91
    MTBE 184.36
    2-butoxyethanol 160.22
    propionic acid 313.09
    o-xylene 31.65
    formic acid 180.47
    diethyl ether 124.06
    m-xylene 40.06
    p-xylene 23.23
    chlorobenzene 56.47
    dimethyl carbonate 170.22
    n-octane 0.36
    formamide 562.26
    cyclopentanone 922.24
    2-pentanone 445.7
    anisole 90.89
    cyclopentyl methyl ether 318.87
    gamma-butyrolactone 899.25
    1-methoxy-2-propanol 1088.44
    pyridine 197.46
    3-pentanone 219.89
    furfural 389.49
    n-dodecane 0.54
    diethylene glycol 358.11
    diisopropyl ether 31.88
    tert-amyl alcohol 297.65
    acetylacetone 469.3
    n-hexadecane 0.66
    acetophenone 128.03
    methyl propionate 458.14
    isopentyl acetate 156.33
    trichloroethylene 362.66
    n-nonanol 26.29
    cyclohexanol 180.99
    benzyl alcohol 128.27
    2-ethylhexanol 43.55
    isooctanol 38.16
    dipropyl ether 32.22
    1,2-dichlorobenzene 55.94
    ethyl lactate 109.15
    propylene carbonate 290.34
    n-methylformamide 1105.19
    2-pentanol 178.3
    n-pentane 1.03
    1-propoxy-2-propanol 271.08
    1-methoxy-2-propyl acetate 274.01
    2-(2-methoxypropoxy) propanol 173.36
    mesitylene 23.09
    ε-caprolactone 384.86
    p-cymene 14.9
    epichlorohydrin 930.69
    1,1,1-trichloroethane 89.61
    2-aminoethanol 565.95
    morpholine-4-carbaldehyde 839.25
    sulfolane 1593.22
    2,2,4-trimethylpentane 2.2
    2-methyltetrahydrofuran 407.08
    n-hexyl acetate 95.43
    isooctane 2.13
    2-(2-butoxyethoxy)ethanol 272.35
    sec-butyl acetate 101.38
    tert-butyl acetate 262.09
    decalin 2.21
    glycerin 417.02
    diglyme 438.33
    acrylic acid 235.59
    isopropyl myristate 32.48
    n-butyric acid 373.06
    acetyl acetate 113.4
    di(2-ethylhexyl) phthalate 45.21
    ethyl propionate 134.91
    nitromethane 723.73
    1,2-diethoxyethane 163.37
    benzonitrile 89.47
    trioctyl phosphate 32.8
    1-bromopropane 56.85
    gamma-valerolactone 1033.21
    n-decanol 19.55
    triethyl phosphate 46.75
    4-methyl-2-pentanol 87.93
    propionitrile 134.71
    vinylene carbonate 188.71
    1,1,2-trichlorotrifluoroethane 469.49
    DMS 131.71
    cumene 16.13
    2-octanol 23.46
    2-hexanone 158.35
    octyl acetate 44.31
    limonene 21.12
    1,2-dimethoxyethane 405.91
    ethyl orthosilicate 43.12
    tributyl phosphate 41.94
    diacetone alcohol 472.03
    N,N-dimethylaniline 72.49
    acrylonitrile 214.55
    aniline 138.41
    1,3-propanediol 570.85
    bromobenzene 44.58
    dibromomethane 65.18
    1,1,2,2-tetrachloroethane 292.26
    2-methyl-cyclohexyl acetate 83.03
    tetrabutyl urea 61.71
    diisobutyl methanol 29.21
    2-phenylethanol 100.57
    styrene 24.18
    dioctyl adipate 65.58
    dimethyl sulfate 444.24
    ethyl butyrate 87.68
    methyl lactate 301.6
    butyl lactate 101.83
    diethyl carbonate 53.52
    propanediol butyl ether 179.74
    triethyl orthoformate 60.18
    p-tert-butyltoluene 15.93
    methyl 4-tert-butylbenzoate 120.05
    morpholine 548.29
    tert-butylamine 130.09
    n-dodecanol 13.8
    dimethoxymethane 991.72
    ethylene carbonate 148.51
    cyrene 203.19
    2-ethoxyethyl acetate 156.3
    2-ethylhexyl acetate 94.07
    1,2,4-trichlorobenzene 90.97
    4-methylpyridine 252.12
    dibutyl ether 28.94
    2,6-dimethyl-4-heptanol 29.21
    DEF 583.13
    dimethyl isosorbide 307.88
    tetrachloroethylene 121.09
    eugenol 117.28
    triacetin 129.72
    span 80 126.46
    1,4-butanediol 141.67
    1,1-dichloroethane 130.67
    2-methyl-1-pentanol 144.31
    methyl formate 337.7
    2-methyl-1-butanol 258.46
    n-decane 0.8
    butyronitrile 125.4
    3,7-dimethyl-1-octanol 39.28
    1-chlorooctane 8.41
    1-chlorotetradecane 3.45
    n-nonane 0.59
    undecane 0.66
    tert-butylcyclohexane 2.58
    cyclooctane 0.55
    cyclopentanol 299.99
    tetrahydropyran 179.88
    tert-amyl methyl ether 141.64
    2,5,8-trioxanonane 287.76
    1-hexene 13.79
    2-isopropoxyethanol 260.79
    2,2,2-trifluoroethanol 91.33
    methyl butyrate 170.31

    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