Phenethyl salicylate

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  • Identifiers

    CAS number
    87-22-9

    Molecular formula
    C15H14O3

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

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 85.81%
    Sweet 79.98%
    Balsamic 78.79%
    Rose 57.82%
    Honey 48.13%
    Herbal 47.35%
    Spicy 43.44%
    Green 42.65%
    Hyacinth 37.15%
    Cinnamon 33.69%

     

    Flavor
    Floral 69.54%
    Balsam 67.98%
    Sweet 67.02%
    Honey 50.27%
    Rose 44.78%
    Herbal 38.78%
    Balsamic 37.36%
    Wintergreen 36.82%
    Bitter 35.53%
    Flower 31.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    8.06 (weak base)

    Molecular weight
    242.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 44 °C

    Boiling point

    • 370.00 °C. @ 760.00 mm Hg

    Flash point

    • 172.07 ˚C est.

    Solubility expt.

    • insoluble in water, glycerol, glycols; soluble in organic solvents, oils
    • soluble (1 g in 20 ml of 95% ethanol) (in ethanol)

  • Synonyms

    • Phenethyl salicylate
    • 87-22-9
    • 2-Phenylethyl 2-hydroxybenzoate
    • phenethyl 2-hydroxybenzoate
    • Phenylethyl salicylate
    • 2-Phenylethyl salicylate
    • Phenylethyl salicyalte
    • Benzylcarbinyl salicylate
    • BENZOIC ACID, 2-HYDROXY-, 2-PHENYLETHYL ESTER
    • Salicylic acid, phenethyl ester
    • FEMA No. 2868
    • Benzyl carbinyl salicylate
    • UNII-6LDP0U8UB0
    • 6LDP0U8UB0
    • NSC-72035
    • Benzylcarbinyl 2-hydroxybenzoate
    • EINECS 201-732-5
    • NSC 72035
    • .beta.-Phenylethyl salicylate
    • AKS-BBB/661
    • Benzoic acid, 2-hydroxy-, 2-phenylethyl
    • AI3-02933
    • DTXSID0052592
    • FEMA 2868
    • PHENETHYL SALICYLATE [FCC]
    • PHENETHYL SALICYLATE [FHFI]
    • beta-Phenylethyl salicylate
    • MFCD00020036
    • Phenethyl salicylic acid
    • 2-Hydroxybenzoic Acid 2-Phenylethyl Ester
    • beta -phenylethyl salicylate
    • NCIOpen2_003663
    • SCHEMBL112400
    • Salicylic Acid Phenethyl Ester
    • CHEMBL3730787
    • DTXCID7031165
    • CHEBI:173744
    • Salicylic Acid 2-Phenylethyl Ester
    • NSC72035
    • Phenethyl salicylate, >=97%, FG
    • 2-Phenylethyl 2-hydroxybenzoic acid
    • STL067279
    • 2-Hydroxybenzoic Acid Phenethyl Ester
    • AKOS000319541
    • CS-W020977
    • Salicylic acid, phenethyl ester (8CI)
    • NS00013124
    • P2165
    • D92192
    • Q27265102
    • 201-732-5

  • Applications

    Phenethyl salicylate (CAS 87-22-9) is the phenethyl ester of salicylic acid; it is used as a fragrance ingredient in cosmetics and fine fragrances—providing floral, honeyed, slightly green salicylate nuances and functioning as a fixative/odor masker—and, owing to the salicylate chromophore, as a UV absorber and photostabilizer for plastics, coatings, inks and adhesives to mitigate yellowing, fading and embrittlement under light; it is also sometimes incorporated into personal-care formulations as an auxiliary UV-protective formula stabilizer (not an approved sunscreen active in many jurisdictions), and serves as an intermediate/reference material in organic synthesis and research due to its thermal stability, good oil solubility and broad formulation compatibility.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 325.21
    methanol 415.78
    isopropanol 180.2
    water 0.05
    ethyl acetate 338.52
    n-propanol 240.44
    acetone 642.75
    n-butanol 167.67
    acetonitrile 343.67
    DMF 704.34
    toluene 69.97
    isobutanol 117.46
    1,4-dioxane 539.1
    methyl acetate 341.15
    THF 1092.82
    2-butanone 424.99
    n-pentanol 98.72
    sec-butanol 149.43
    n-hexane 1.32
    ethylene glycol 42.23
    NMP 291.32
    cyclohexane 2.99
    DMSO 1664.29
    n-butyl acetate 139.0
    n-octanol 24.88
    chloroform 396.56
    n-propyl acetate 144.9
    acetic acid 200.68
    dichloromethane 432.99
    cyclohexanone 384.6
    propylene glycol 114.12
    isopropyl acetate 149.95
    DMAc 542.17
    2-ethoxyethanol 205.84
    isopentanol 109.83
    n-heptane 1.89
    ethyl formate 138.5
    1,2-dichloroethane 544.4
    n-hexanol 73.91
    2-methoxyethanol 540.77
    isobutyl acetate 79.3
    tetrachloromethane 11.77
    n-pentyl acetate 51.09
    transcutol 896.11
    n-heptanol 31.91
    ethylbenzene 30.67
    MIBK 144.34
    2-propoxyethanol 200.37
    tert-butanol 194.09
    MTBE 123.16
    2-butoxyethanol 97.96
    propionic acid 164.59
    o-xylene 33.16
    formic acid 64.84
    diethyl ether 187.28
    m-xylene 36.52
    p-xylene 35.83
    chlorobenzene 114.92
    dimethyl carbonate 136.49
    n-octane 1.08
    formamide 259.72
    cyclopentanone 648.13
    2-pentanone 290.06
    anisole 127.03
    cyclopentyl methyl ether 211.02
    gamma-butyrolactone 671.54
    1-methoxy-2-propanol 383.99
    pyridine 349.55
    3-pentanone 191.26
    furfural 339.02
    n-dodecane 2.22
    diethylene glycol 171.43
    diisopropyl ether 29.66
    tert-amyl alcohol 129.59
    acetylacetone 369.97
    n-hexadecane 2.57
    acetophenone 121.44
    methyl propionate 258.07
    isopentyl acetate 109.24
    trichloroethylene 700.27
    n-nonanol 27.18
    cyclohexanol 118.38
    benzyl alcohol 101.74
    2-ethylhexanol 41.72
    isooctanol 29.63
    dipropyl ether 59.97
    1,2-dichlorobenzene 91.52
    ethyl lactate 77.25
    propylene carbonate 247.58
    n-methylformamide 332.42
    2-pentanol 87.14
    n-pentane 0.93
    1-propoxy-2-propanol 132.16
    1-methoxy-2-propyl acetate 168.29
    2-(2-methoxypropoxy) propanol 125.0
    mesitylene 21.39
    ε-caprolactone 267.88
    p-cymene 20.67
    epichlorohydrin 881.89
    1,1,1-trichloroethane 189.21
    2-aminoethanol 132.06
    morpholine-4-carbaldehyde 312.14
    sulfolane 738.98
    2,2,4-trimethylpentane 2.68
    2-methyltetrahydrofuran 397.88
    n-hexyl acetate 73.08
    isooctane 2.51
    2-(2-butoxyethoxy)ethanol 185.48
    sec-butyl acetate 91.42
    tert-butyl acetate 154.48
    decalin 4.46
    glycerin 128.31
    diglyme 384.16
    acrylic acid 131.91
    isopropyl myristate 37.71
    n-butyric acid 210.52
    acetyl acetate 156.75
    di(2-ethylhexyl) phthalate 34.4
    ethyl propionate 127.8
    nitromethane 664.62
    1,2-diethoxyethane 180.75
    benzonitrile 116.62
    trioctyl phosphate 25.23
    1-bromopropane 128.46
    gamma-valerolactone 554.14
    n-decanol 22.67
    triethyl phosphate 50.31
    4-methyl-2-pentanol 46.11
    propionitrile 213.1
    vinylene carbonate 188.27
    1,1,2-trichlorotrifluoroethane 317.27
    DMS 110.97
    cumene 20.72
    2-octanol 18.66
    2-hexanone 141.17
    octyl acetate 44.73
    limonene 29.67
    1,2-dimethoxyethane 373.15
    ethyl orthosilicate 43.73
    tributyl phosphate 33.97
    diacetone alcohol 214.54
    N,N-dimethylaniline 61.93
    acrylonitrile 292.0
    aniline 118.96
    1,3-propanediol 222.07
    bromobenzene 103.82
    dibromomethane 227.05
    1,1,2,2-tetrachloroethane 550.43
    2-methyl-cyclohexyl acetate 68.91
    tetrabutyl urea 49.63
    diisobutyl methanol 29.62
    2-phenylethanol 81.94
    styrene 45.87
    dioctyl adipate 63.12
    dimethyl sulfate 230.17
    ethyl butyrate 101.61
    methyl lactate 134.85
    butyl lactate 58.48
    diethyl carbonate 72.85
    propanediol butyl ether 84.76
    triethyl orthoformate 66.6
    p-tert-butyltoluene 19.82
    methyl 4-tert-butylbenzoate 90.96
    morpholine 641.54
    tert-butylamine 68.17
    n-dodecanol 18.78
    dimethoxymethane 502.89
    ethylene carbonate 161.5
    cyrene 112.23
    2-ethoxyethyl acetate 103.66
    2-ethylhexyl acetate 75.41
    1,2,4-trichlorobenzene 119.86
    4-methylpyridine 228.61
    dibutyl ether 50.13
    2,6-dimethyl-4-heptanol 29.62
    DEF 233.66
    dimethyl isosorbide 205.47
    tetrachloroethylene 217.71
    eugenol 91.99
    triacetin 105.71
    span 80 81.16
    1,4-butanediol 55.68
    1,1-dichloroethane 312.1
    2-methyl-1-pentanol 77.86
    methyl formate 225.33
    2-methyl-1-butanol 98.29
    n-decane 2.86
    butyronitrile 170.38
    3,7-dimethyl-1-octanol 36.4
    1-chlorooctane 18.57
    1-chlorotetradecane 9.36
    n-nonane 2.2
    undecane 2.5
    tert-butylcyclohexane 4.28
    cyclooctane 1.03
    cyclopentanol 153.61
    tetrahydropyran 435.95
    tert-amyl methyl ether 84.5
    2,5,8-trioxanonane 262.04
    1-hexene 16.55
    2-isopropoxyethanol 129.28
    2,2,2-trifluoroethanol 57.33
    methyl butyrate 172.04

    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

Botanical

Name CAS Botanical Proportion
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%