Acetaminosalol

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  • Identifiers

    CAS number
    118-57-0

    Molecular formula
    C15H13NO4

    SMILES
    CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 60.99%
    Grape 49.37%
    Floral 38.51%
    Sweet 35.74%
    Odorless 31.09%
    Bitter 27.48%
    Balsamic 27.39%
    Phenolic 27.15%
    Berry 26.19%
    Neroli 26.02%

     

    Flavor
    Odorless 44.98%
    Mild 41.55%
    Bitter 35.15%
    Fruity 33.51%
    Phenolic 30.77%
    Powdery 27.69%
    Grape 24.87%
    Faint 24.59%
    Wintergreen 23.36%
    Nutty 22.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.17 (weak base)

    Molecular weight
    271.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    438°C

    Flash point

    • 215.82 ˚C est.

  • Synonyms

    • acetaminosalol
    • 118-57-0
    • Phenetsal
    • Acetaminosalolo
    • Acetaminosalolum
    • Acetaminosalolo [DCIT]
    • Acetaminosalol [INN:DCF]
    • O3J7H54KMD
    • 4-Acetylaminophenyl salicylat
    • Acetaminosalolum [INN-Latin]
    • NSC-757877
    • 4-Hydroxyacetanilide salicylate
    • DTXSID7045865
    • 4-(Acetylamino)phenyl salicylate
    • EINECS 204-261-3
    • ACETAMINOSALOL [MI]
    • ACETAMINOSALOL [INN]
    • ACETAMINOSALOL [MART.]
    • ACETAMINOSALOL [WHO-DD]
    • DTXCID5025865
    • NSC 757877
    • Acetaminosalolum (INN-Latin)
    • ACETAMINOSALOL (MART.)
    • 2-Hydroxybenzoic acid, 4-(acetylamino)phenyl-, ester
    • RefChem:551861
    • ACETAMINOSALOL [INCI]
    • 204-261-3
    • Salophen
    • 4-acetamidophenyl 2-hydroxybenzoate
    • (4-acetamidophenyl) 2-hydroxybenzoate
    • 4-Acetamidophenyl salicylate
    • 4'-Hydroxyacetanilide salicylate
    • NCGC00094917-01
    • Asalphen
    • Cetosalol
    • Phenestal
    • p-Acetamidophenyl salicylate
    • UNII-O3J7H54KMD
    • Cetosal
    • Phenosol
    • Salofena
    • 2-hydroxybenzoic acid 4-(acetylamino)phenyl ester
    • Spectrum_000157
    • Spectrum2_001431
    • Spectrum3_000936
    • Spectrum4_001035
    • Spectrum5_001149
    • SCHEMBL25220
    • KBioGR_001589
    • KBioSS_000637
    • p-Acetylaminophenyl salicylate
    • CHEMBL92590
    • DivK1c_000629
    • SPECTRUM1501170
    • SPBio_001562
    • SCHEMBL30383652
    • HMS501P11
    • KBio1_000629
    • KBio2_000637
    • KBio2_003205
    • KBio2_005773
    • KBio3_001972
    • 4-acetamidophenyl2-hydroxybenzoate
    • CHEBI:135115
    • NINDS_000629
    • HMS1921L21
    • Pharmakon1600-01501170
    • 4-(Acetylamino)phenyl salicylate #
    • Tox21_111357
    • CCG-38983
    • NSC757877
    • AKOS022179581
    • IDI1_000629
    • Salicylic acid p-acetylaminophenyl ester
    • NCGC00094917-02
    • CAS-118-57-0
    • SBI-0051670.P002
    • 4-ACETYLAMINOPHENYL-2-HYDROXYBENZOATE
    • NS00007419
    • AB00052232_02
    • Salicylic acid, ester with 4'-hydroxyacetanilide
    • SR-01000872767
    • Q4673251
    • SR-01000872767-1
    • BRD-K58464880-001-02-5
    • Benzoic acid, 2-hydroxy-, 4-(acetylamino)phenyl ester
    • 118-57-0

  • Applications

    Acetaminosalol (CAS 118-57-0) is primarily used as an intermediate in the synthesis of pharmaceutical-related esters and related aromatic compounds. It acts as a building block in organic synthesis for salicylate-derived derivatives and can be evaluated as a fragrance ingredient or odorant component due to its aromatic structure. It is also employed as a specialty chemical intermediate in coatings, inks, and polymer formulations where it serves as a reactive precursor for further functionality. Additionally, it is explored as an intermediate in agrochemical or other industrial synthesis, and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.79
    methanol 19.17
    isopropanol 8.65
    water 0.02
    ethyl acetate 10.29
    n-propanol 10.88
    acetone 85.78
    n-butanol 9.65
    acetonitrile 20.56
    DMF 172.88
    toluene 0.5
    isobutanol 6.53
    1,4-dioxane 27.97
    methyl acetate 20.59
    THF 245.38
    2-butanone 49.83
    n-pentanol 7.82
    sec-butanol 9.93
    n-hexane 0.03
    ethylene glycol 4.15
    NMP 80.07
    cyclohexane 0.03
    DMSO 671.75
    n-butyl acetate 10.06
    n-octanol 2.74
    chloroform 6.53
    n-propyl acetate 9.48
    acetic acid 24.36
    dichloromethane 5.3
    cyclohexanone 40.06
    propylene glycol 12.45
    isopropyl acetate 6.74
    DMAc 358.47
    2-ethoxyethanol 40.47
    isopentanol 9.78
    n-heptane 0.03
    ethyl formate 13.36
    1,2-dichloroethane 6.72
    n-hexanol 4.31
    2-methoxyethanol 98.58
    isobutyl acetate 5.31
    tetrachloromethane 0.3
    n-pentyl acetate 3.54
    transcutol 99.87
    n-heptanol 2.78
    ethylbenzene 0.79
    MIBK 12.39
    2-propoxyethanol 37.98
    tert-butanol 16.35
    MTBE 7.11
    2-butoxyethanol 15.29
    propionic acid 12.83
    o-xylene 0.74
    formic acid 14.18
    diethyl ether 3.05
    m-xylene 0.52
    p-xylene 1.33
    chlorobenzene 2.0
    dimethyl carbonate 13.78
    n-octane 0.02
    formamide 36.48
    cyclopentanone 91.04
    2-pentanone 20.87
    anisole 12.47
    cyclopentyl methyl ether 10.12
    gamma-butyrolactone 64.82
    1-methoxy-2-propanol 59.57
    pyridine 15.86
    3-pentanone 12.49
    furfural 47.61
    n-dodecane 0.09
    diethylene glycol 36.36
    diisopropyl ether 0.73
    tert-amyl alcohol 13.13
    acetylacetone 35.26
    n-hexadecane 0.1
    acetophenone 14.52
    methyl propionate 15.81
    isopentyl acetate 10.39
    trichloroethylene 16.25
    n-nonanol 3.08
    cyclohexanol 6.1
    benzyl alcohol 11.11
    2-ethylhexanol 3.45
    isooctanol 2.89
    dipropyl ether 3.28
    1,2-dichlorobenzene 2.92
    ethyl lactate 13.55
    propylene carbonate 22.74
    n-methylformamide 43.11
    2-pentanol 4.1
    n-pentane 0.01
    1-propoxy-2-propanol 23.91
    1-methoxy-2-propyl acetate 22.55
    2-(2-methoxypropoxy) propanol 33.96
    mesitylene 0.45
    ε-caprolactone 26.74
    p-cymene 1.21
    epichlorohydrin 76.94
    1,1,1-trichloroethane 3.22
    2-aminoethanol 11.94
    morpholine-4-carbaldehyde 66.79
    sulfolane 131.89
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 31.32
    n-hexyl acetate 6.79
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 35.72
    sec-butyl acetate 6.05
    tert-butyl acetate 11.67
    decalin 0.09
    glycerin 27.84
    diglyme 65.83
    acrylic acid 13.53
    isopropyl myristate 4.07
    n-butyric acid 15.88
    acetyl acetate 7.93
    di(2-ethylhexyl) phthalate 7.26
    ethyl propionate 10.58
    nitromethane 78.4
    1,2-diethoxyethane 14.23
    benzonitrile 9.67
    trioctyl phosphate 4.11
    1-bromopropane 1.73
    gamma-valerolactone 89.89
    n-decanol 2.53
    triethyl phosphate 8.76
    4-methyl-2-pentanol 3.46
    propionitrile 13.22
    vinylene carbonate 17.56
    1,1,2-trichlorotrifluoroethane 50.06
    DMS 11.99
    cumene 0.93
    2-octanol 1.67
    2-hexanone 16.42
    octyl acetate 5.11
    limonene 1.59
    1,2-dimethoxyethane 81.51
    ethyl orthosilicate 7.3
    tributyl phosphate 6.33
    diacetone alcohol 30.7
    N,N-dimethylaniline 8.29
    acrylonitrile 20.05
    aniline 4.67
    1,3-propanediol 24.45
    bromobenzene 1.32
    dibromomethane 2.59
    1,1,2,2-tetrachloroethane 15.91
    2-methyl-cyclohexyl acetate 10.09
    tetrabutyl urea 11.02
    diisobutyl methanol 2.65
    2-phenylethanol 9.76
    styrene 1.07
    dioctyl adipate 10.0
    dimethyl sulfate 38.0
    ethyl butyrate 10.12
    methyl lactate 25.29
    butyl lactate 9.29
    diethyl carbonate 8.24
    propanediol butyl ether 17.55
    triethyl orthoformate 9.28
    p-tert-butyltoluene 1.1
    methyl 4-tert-butylbenzoate 15.43
    morpholine 51.54
    tert-butylamine 3.65
    n-dodecanol 2.06
    dimethoxymethane 65.68
    ethylene carbonate 13.67
    cyrene 29.96
    2-ethoxyethyl acetate 9.06
    2-ethylhexyl acetate 6.89
    1,2,4-trichlorobenzene 5.06
    4-methylpyridine 13.11
    dibutyl ether 3.91
    2,6-dimethyl-4-heptanol 2.65
    DEF 29.69
    dimethyl isosorbide 48.52
    tetrachloroethylene 5.06
    eugenol 18.26
    triacetin 13.83
    span 80 17.47
    1,4-butanediol 7.33
    1,1-dichloroethane 3.24
    2-methyl-1-pentanol 8.81
    methyl formate 28.37
    2-methyl-1-butanol 9.03
    n-decane 0.1
    butyronitrile 12.7
    3,7-dimethyl-1-octanol 4.09
    1-chlorooctane 0.93
    1-chlorotetradecane 0.55
    n-nonane 0.06
    undecane 0.1
    tert-butylcyclohexane 0.1
    cyclooctane 0.01
    cyclopentanol 10.05
    tetrahydropyran 12.59
    tert-amyl methyl ether 6.96
    2,5,8-trioxanonane 54.88
    1-hexene 0.38
    2-isopropoxyethanol 19.61
    2,2,2-trifluoroethanol 7.93
    methyl butyrate 16.82

    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