p-tert-Butylphenyl salicylate

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  • Identifiers

    CAS number
    87-18-3

    Molecular formula
    C17H18O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 55.84%
    Balsamic 55.55%
    Floral 50.84%
    Woody 47.84%
    Phenolic 45.39%
    Green 44.71%
    Sweet 44.48%
    Spicy 40.93%
    Fruity 32.17%
    Animal 29.84%

     

    Flavor
    Herbal 47.83%
    Bitter 44.09%
    Woody 41.47%
    Phenolic 38.25%
    Camphor 30.15%
    Medicinal 29.55%
    Spicy 21.91%
    Creosote 21.19%
    Spice 21.09%
    Thymol 21.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    8.1 (weak base)

    Molecular weight
    270.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    344°C

    Melting point expt.

    • 65 - 66 °C

    Flash point

    • 170.06 ˚C est.

  • Synonyms

    • 4-tert-Butylphenyl salicylate
    • 87-18-3
    • Sumisorb 90
    • Viosorb 90
    • p-tert-Butylphenyl salicylate
    • Seesorb 202
    • UV Absorber NL 3
    • Salicyclic acid p-tert-butylphenyl ester
    • 4-tert-butylphenyl 2-hydroxybenzoate
    • Salicylic acid p-tert-butylphenyl ester
    • Salicylic acid, p-tert-butylphenyl ester
    • p-terc.Butylfenylester kyseliny salicylove
    • V0H9R55TGV
    • DTXSID9037745
    • NSC-33404
    • DTXCID7017745
    • 4-TBPS compound
    • RefChem:526896
    • 201-728-3
    • Salicylic Acid 4-tert-Butylphenyl Ester
    • (4-tert-butylphenyl) 2-hydroxybenzoate
    • UV Absorber NL/3
    • p-tert-Butylphenylsalicylate
    • MFCD00045759
    • Benzoic acid, 2-hydroxy-, 4-(1,1-dimethylethyl)phenyl ester
    • 4-(tert-Butyl)phenyl 2-hydroxybenzoate
    • EINECS 201-728-3
    • NSC 33404
    • UNII-V0H9R55TGV
    • BRN 2130191
    • p-terc.Butylfenylester kyseliny salicylove [Czech]
    • p-t-butylphenyl salicylate
    • SCHEMBL77201
    • 3-10-00-00133 (Beilstein Handbook Reference)
    • 4-(t-Butylphenyl) salicyclate
    • 2-Hydroxybenzoic acid 4-(1,1-dimethylethyl)phenyl ester
    • CHEMBL3186746
    • SCHEMBL29645273
    • DBOSBRHMHBENLP-UHFFFAOYSA-
    • CHEBI:177408
    • NSC33404
    • Tox21_303577
    • MSK163617
    • AKOS015838937
    • CAS-87-18-3
    • MSK163617-1000E
    • NCGC00257374-01
    • salicylic acid-4-tert.-butylphenyl ester
    • BS-23281
    • SY053923
    • Salicylic acid-(4-tert-butyl)phenyl ester
    • 4-TERT-BUTYLPHENYL SALICYLATE [MI]
    • DB-056978
    • CS-0205974
    • NS00022851
    • E78891
    • Benzoic acid, 4-(1,1-dimethylethyl)phenyl ester
    • Q27291379
    • 4-tert-Butylphenyl salicylate Solution in Ethylacetate, 1000ug/mL
    • InChI=1/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-16(19)14-6-4-5-7-15(14)18/h4-11,18H,1-3H3
    • 87-18-3

  • Applications

    p-tert-Butylphenyl salicylate (CAS 87-18-3) is an ester of salicylic acid used primarily in fragrance and cosmetic applications. In perfumery, it serves as a fragrance ingredient and fixative to help retain scent. In cosmetics and personal care, it can function as a fragrance component and scent carrier in skin and hair care formulas. In household products, it is used as a fragrance additive and solvent for cleaning and household formulations. In coatings and inks, it can be added to improve compatibility and impart fragrance to coatings and inks. In polymer systems, it may be used as a processing aid or fragrance carrier in polymer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 763.45
    methanol 656.14
    isopropanol 371.76
    water 0.04
    ethyl acetate 1059.63
    n-propanol 593.51
    acetone 952.99
    n-butanol 428.78
    acetonitrile 557.2
    DMF 1885.54
    toluene 200.54
    isobutanol 289.31
    1,4-dioxane 743.73
    methyl acetate 888.72
    THF 2381.12
    2-butanone 990.72
    n-pentanol 211.42
    sec-butanol 333.29
    n-hexane 5.63
    ethylene glycol 46.39
    NMP 829.39
    cyclohexane 6.55
    DMSO 1048.41
    n-butyl acetate 354.5
    n-octanol 62.58
    chloroform 833.94
    n-propyl acetate 328.83
    acetic acid 271.93
    dichloromethane 810.24
    cyclohexanone 666.08
    propylene glycol 179.46
    isopropyl acetate 508.67
    DMAc 1300.36
    2-ethoxyethanol 426.29
    isopentanol 302.61
    n-heptane 5.02
    ethyl formate 287.9
    1,2-dichloroethane 751.72
    n-hexanol 208.08
    2-methoxyethanol 1136.15
    isobutyl acetate 219.67
    tetrachloromethane 30.08
    n-pentyl acetate 139.25
    transcutol 1623.05
    n-heptanol 72.59
    ethylbenzene 70.57
    MIBK 393.26
    2-propoxyethanol 632.63
    tert-butanol 438.48
    MTBE 525.75
    2-butoxyethanol 213.6
    propionic acid 313.43
    o-xylene 73.04
    formic acid 90.41
    diethyl ether 601.02
    m-xylene 116.13
    p-xylene 85.83
    chlorobenzene 277.6
    dimethyl carbonate 400.66
    n-octane 2.5
    formamide 375.51
    cyclopentanone 1269.52
    2-pentanone 785.51
    anisole 319.74
    cyclopentyl methyl ether 624.83
    gamma-butyrolactone 1240.73
    1-methoxy-2-propanol 972.87
    pyridine 599.93
    3-pentanone 521.47
    furfural 555.36
    n-dodecane 2.96
    diethylene glycol 353.73
    diisopropyl ether 123.09
    tert-amyl alcohol 371.24
    acetylacetone 844.0
    n-hexadecane 3.56
    acetophenone 236.31
    methyl propionate 950.67
    isopentyl acetate 311.05
    trichloroethylene 1215.49
    n-nonanol 62.29
    cyclohexanol 196.57
    benzyl alcohol 205.46
    2-ethylhexanol 99.15
    isooctanol 65.7
    dipropyl ether 171.08
    1,2-dichlorobenzene 212.17
    ethyl lactate 154.05
    propylene carbonate 509.69
    n-methylformamide 791.53
    2-pentanol 241.65
    n-pentane 5.48
    1-propoxy-2-propanol 398.63
    1-methoxy-2-propyl acetate 534.53
    2-(2-methoxypropoxy) propanol 292.47
    mesitylene 55.85
    ε-caprolactone 559.84
    p-cymene 42.54
    epichlorohydrin 1749.35
    1,1,1-trichloroethane 415.43
    2-aminoethanol 236.33
    morpholine-4-carbaldehyde 830.53
    sulfolane 1047.06
    2,2,4-trimethylpentane 7.64
    2-methyltetrahydrofuran 1025.57
    n-hexyl acetate 207.29
    isooctane 7.82
    2-(2-butoxyethoxy)ethanol 412.8
    sec-butyl acetate 253.01
    tert-butyl acetate 535.66
    decalin 7.86
    glycerin 187.84
    diglyme 725.44
    acrylic acid 217.08
    isopropyl myristate 86.81
    n-butyric acid 462.55
    acetyl acetate 378.98
    di(2-ethylhexyl) phthalate 76.64
    ethyl propionate 351.94
    nitromethane 994.22
    1,2-diethoxyethane 461.35
    benzonitrile 220.92
    trioctyl phosphate 54.21
    1-bromopropane 328.63
    gamma-valerolactone 1118.08
    n-decanol 47.96
    triethyl phosphate 95.09
    4-methyl-2-pentanol 139.45
    propionitrile 456.53
    vinylene carbonate 366.59
    1,1,2-trichlorotrifluoroethane 558.88
    DMS 305.1
    cumene 43.66
    2-octanol 46.63
    2-hexanone 310.9
    octyl acetate 108.69
    limonene 65.71
    1,2-dimethoxyethane 665.26
    ethyl orthosilicate 90.48
    tributyl phosphate 76.15
    diacetone alcohol 591.25
    N,N-dimethylaniline 156.48
    acrylonitrile 551.26
    aniline 300.4
    1,3-propanediol 355.73
    bromobenzene 266.78
    dibromomethane 428.05
    1,1,2,2-tetrachloroethane 923.77
    2-methyl-cyclohexyl acetate 160.9
    tetrabutyl urea 91.14
    diisobutyl methanol 66.23
    2-phenylethanol 209.49
    styrene 96.49
    dioctyl adipate 137.33
    dimethyl sulfate 512.25
    ethyl butyrate 228.34
    methyl lactate 343.42
    butyl lactate 131.37
    diethyl carbonate 149.53
    propanediol butyl ether 186.74
    triethyl orthoformate 144.79
    p-tert-butyltoluene 48.76
    methyl 4-tert-butylbenzoate 191.53
    morpholine 1238.99
    tert-butylamine 195.58
    n-dodecanol 35.72
    dimethoxymethane 1395.18
    ethylene carbonate 317.99
    cyrene 227.91
    2-ethoxyethyl acetate 300.84
    2-ethylhexyl acetate 219.49
    1,2,4-trichlorobenzene 270.7
    4-methylpyridine 612.9
    dibutyl ether 112.21
    2,6-dimethyl-4-heptanol 66.23
    DEF 721.89
    dimethyl isosorbide 564.06
    tetrachloroethylene 318.98
    eugenol 173.65
    triacetin 235.56
    span 80 181.88
    1,4-butanediol 83.45
    1,1-dichloroethane 682.48
    2-methyl-1-pentanol 176.24
    methyl formate 445.76
    2-methyl-1-butanol 260.21
    n-decane 4.79
    butyronitrile 395.17
    3,7-dimethyl-1-octanol 89.83
    1-chlorooctane 41.77
    1-chlorotetradecane 17.01
    n-nonane 4.1
    undecane 3.69
    tert-butylcyclohexane 9.7
    cyclooctane 2.54
    cyclopentanol 295.33
    tetrahydropyran 770.21
    tert-amyl methyl ether 351.64
    2,5,8-trioxanonane 498.64
    1-hexene 53.7
    2-isopropoxyethanol 299.74
    2,2,2-trifluoroethanol 78.14
    methyl butyrate 384.91

    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