o-TOLYL SALICYLATE

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  • Identifiers

    CAS number
    617-01-6

    Molecular formula
    C14H12O3

    SMILES
    CC1=CC=CC=C1OC(=O)C2=CC=CC=C2O

  • Odor profile

    Fragrance
    Sweet 77.09%
    Phenolic 62.15%
    Herbal 59.56%
    Balsamic 54.36%
    Floral 49.88%
    Medicinal 42.56%
    Aromatic 40.27%
    Fruity 39.69%
    Spicy 39.03%
    Woody 37.25%

     

    Flavor
    Bitter 46.26%
    Sweet 45.84%
    Phenolic 44.3%
    Herbal 43.84%
    Balsam 37.51%
    Wintergreen 31.77%
    Powdery 30.07%
    Tobacco 28.34%
    Balsamic 27.27%
    Faint 26.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.21 (weak base)

    Molecular weight
    228.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 25.00 °C. @ 760.00 mm Hg

    Boiling point

    • 180.00 °C. @ 2.00 mm Hg

    Flash point

    • 155.99 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in some oils
    • soluble (in ethanol)

  • Synonyms

    • o-Tolyl salicylate
    • 617-01-6
    • Salicylic acid, o-tolyl ester
    • (2-methylphenyl) 2-hydroxybenzoate
    • 2-Methylphenyl 2-hydroxybenzoate
    • o-cresyl salicylate
    • Benzoic acid, 2-hydroxy-, 2-methylphenyl ester
    • 2-METHYLPHENYL SALICYLATE
    • Tolyl salicylate, o-
    • Cresyl salicylate, o-
    • FEMA No. 3734
    • Benzoic acid,2-hydroxy-, 2-methylphenyl ester
    • o-tolyl 2-hydroxybenzoate
    • UNII-MXU84PJ614
    • MXU84PJ614
    • EINECS 210-500-2
    • NSC-65073
    • AI3-19490
    • DTXSID70210694
    • O-TOLYL SALICYLATE [FHFI]
    • NSC 65073
    • ortho-cresyl salicylate
    • NCIOpen2_003166
    • SCHEMBL891120
    • FEMA 3734
    • DTXCID00133185
    • CHEBI:173653
    • KITKATPLNVHGFC-UHFFFAOYSA-N
    • (2-Methylphenyl)2-hydroxybenzoate
    • NSC65073
    • NS00022513
    • EN300-18434079
    • Q27284288
    • Z242069688
    • 210-500-2

  • Applications

    o-TOLYL SALICYLATE (CAS 617-01-6) is used primarily as a fragrance ingredient and fixative in perfumery and cosmetic formulations; it can also serve as a solvent or processing aid in coatings, inks, and adhesives; it can function as a plasticizer in certain polymer systems; it is an intermediate in organic synthesis; and it may appear in household care products as an odorant component. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 292.8
    methanol 321.44
    isopropanol 164.06
    water 0.03
    ethyl acetate 522.65
    n-propanol 316.77
    acetone 376.76
    n-butanol 283.09
    acetonitrile 285.71
    DMF 876.76
    toluene 296.38
    isobutanol 177.33
    1,4-dioxane 638.39
    methyl acetate 522.33
    THF 937.97
    2-butanone 703.43
    n-pentanol 120.88
    sec-butanol 282.55
    n-hexane 3.86
    ethylene glycol 19.74
    NMP 466.75
    cyclohexane 9.14
    DMSO 649.4
    n-butyl acetate 237.76
    n-octanol 32.39
    chloroform 479.51
    n-propyl acetate 195.67
    acetic acid 139.06
    dichloromethane 417.59
    cyclohexanone 537.16
    propylene glycol 57.33
    isopropyl acetate 237.51
    DMAc 988.53
    2-ethoxyethanol 197.16
    isopentanol 203.82
    n-heptane 2.7
    ethyl formate 153.73
    1,2-dichloroethane 555.79
    n-hexanol 119.22
    2-methoxyethanol 583.95
    isobutyl acetate 107.17
    tetrachloromethane 16.16
    n-pentyl acetate 79.06
    transcutol 964.53
    n-heptanol 43.64
    ethylbenzene 93.63
    MIBK 206.92
    2-propoxyethanol 265.68
    tert-butanol 238.57
    MTBE 307.72
    2-butoxyethanol 120.0
    propionic acid 154.97
    o-xylene 101.64
    formic acid 44.81
    diethyl ether 488.72
    m-xylene 98.9
    p-xylene 87.99
    chlorobenzene 214.74
    dimethyl carbonate 175.42
    n-octane 1.25
    formamide 218.15
    cyclopentanone 636.58
    2-pentanone 447.82
    anisole 255.11
    cyclopentyl methyl ether 323.83
    gamma-butyrolactone 568.58
    1-methoxy-2-propanol 406.84
    pyridine 665.59
    3-pentanone 379.52
    furfural 404.98
    n-dodecane 1.93
    diethylene glycol 156.91
    diisopropyl ether 63.37
    tert-amyl alcohol 267.25
    acetylacetone 403.35
    n-hexadecane 2.35
    acetophenone 190.13
    methyl propionate 476.85
    isopentyl acetate 203.38
    trichloroethylene 893.37
    n-nonanol 33.29
    cyclohexanol 207.72
    benzyl alcohol 150.25
    2-ethylhexanol 64.65
    isooctanol 38.01
    dipropyl ether 89.22
    1,2-dichlorobenzene 144.7
    ethyl lactate 78.02
    propylene carbonate 252.77
    n-methylformamide 347.36
    2-pentanol 160.17
    n-pentane 3.01
    1-propoxy-2-propanol 165.67
    1-methoxy-2-propyl acetate 238.46
    2-(2-methoxypropoxy) propanol 162.12
    mesitylene 46.59
    ε-caprolactone 404.87
    p-cymene 31.57
    epichlorohydrin 900.13
    1,1,1-trichloroethane 235.2
    2-aminoethanol 88.93
    morpholine-4-carbaldehyde 469.56
    sulfolane 530.44
    2,2,4-trimethylpentane 6.12
    2-methyltetrahydrofuran 581.41
    n-hexyl acetate 110.27
    isooctane 4.46
    2-(2-butoxyethoxy)ethanol 233.19
    sec-butyl acetate 150.7
    tert-butyl acetate 239.85
    decalin 8.92
    glycerin 85.57
    diglyme 481.11
    acrylic acid 119.76
    isopropyl myristate 47.31
    n-butyric acid 245.67
    acetyl acetate 200.31
    di(2-ethylhexyl) phthalate 43.24
    ethyl propionate 206.3
    nitromethane 496.75
    1,2-diethoxyethane 256.58
    benzonitrile 185.32
    trioctyl phosphate 28.67
    1-bromopropane 247.86
    gamma-valerolactone 674.44
    n-decanol 25.72
    triethyl phosphate 64.24
    4-methyl-2-pentanol 76.37
    propionitrile 317.29
    vinylene carbonate 214.69
    1,1,2-trichlorotrifluoroethane 322.93
    DMS 153.55
    cumene 41.65
    2-octanol 26.81
    2-hexanone 219.19
    octyl acetate 56.62
    limonene 47.48
    1,2-dimethoxyethane 465.23
    ethyl orthosilicate 58.57
    tributyl phosphate 42.02
    diacetone alcohol 291.52
    N,N-dimethylaniline 103.85
    acrylonitrile 386.84
    aniline 295.97
    1,3-propanediol 199.85
    bromobenzene 211.43
    dibromomethane 272.45
    1,1,2,2-tetrachloroethane 692.94
    2-methyl-cyclohexyl acetate 94.01
    tetrabutyl urea 55.16
    diisobutyl methanol 41.18
    2-phenylethanol 136.14
    styrene 136.18
    dioctyl adipate 74.74
    dimethyl sulfate 230.9
    ethyl butyrate 147.65
    methyl lactate 150.16
    butyl lactate 71.24
    diethyl carbonate 101.79
    propanediol butyl ether 98.32
    triethyl orthoformate 92.03
    p-tert-butyltoluene 32.4
    methyl 4-tert-butylbenzoate 107.46
    morpholine 933.61
    tert-butylamine 103.37
    n-dodecanol 20.27
    dimethoxymethane 610.24
    ethylene carbonate 177.26
    cyrene 122.24
    2-ethoxyethyl acetate 158.04
    2-ethylhexyl acetate 148.24
    1,2,4-trichlorobenzene 187.07
    4-methylpyridine 601.61
    dibutyl ether 69.81
    2,6-dimethyl-4-heptanol 41.18
    DEF 574.23
    dimethyl isosorbide 259.58
    tetrachloroethylene 287.91
    eugenol 108.12
    triacetin 120.46
    span 80 95.4
    1,4-butanediol 33.48
    1,1-dichloroethane 337.2
    2-methyl-1-pentanol 128.58
    methyl formate 190.92
    2-methyl-1-butanol 247.29
    n-decane 2.72
    butyronitrile 256.53
    3,7-dimethyl-1-octanol 50.31
    1-chlorooctane 21.92
    1-chlorotetradecane 10.1
    n-nonane 2.1
    undecane 2.24
    tert-butylcyclohexane 8.28
    cyclooctane 2.67
    cyclopentanol 169.1
    tetrahydropyran 682.38
    tert-amyl methyl ether 251.13
    2,5,8-trioxanonane 319.28
    1-hexene 45.49
    2-isopropoxyethanol 131.66
    2,2,2-trifluoroethanol 42.96
    methyl butyrate 260.35

    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