Prenyl salicylate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    68555-58-8

    Molecular formula
    C12H14O3

    SMILES
    CC(=CCOC(=O)C1=CC=CC=C1O)C

  • Odor profile

    Floral 82.19%
    Green 79.17%
    Sweet 79.01%
    Herbal 76.45%
    Balsamic 58.78%
    Woody 57.83%
    Fruity 51.01%
    Spicy 41.15%
    Fresh 35.33%
    Mint 31.29%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    Molecular weight
    206.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    281°C

    Flash point est.
    139.14 ˚C

  • Synonyms

    • Prenyl salicylate
    • 68555-58-8
    • 3-methylbut-2-enyl 2-hydroxybenzoate
    • 3-Methyl-2-butenyl salicylate
    • EINECS 271-434-8
    • Benzoic acid, 2-hydroxy-, 3-methyl-2-butenyl ester
    • 2-BUTEN-1-OL, 3-METHYL-, SALICYLATE
    • Benzoic acid, 2-hydroxy-, 3-methyl-2-buten-1-yl ester
    • salicylic acid prenyl ester
    • SCHEMBL541270
    • NS00012718

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1429.29
    methanol 1139.68
    isopropanol 1152.45
    water 0.14
    ethyl acetate 846.8
    n-propanol 1096.69
    acetone 1469.77
    n-butanol 872.15
    acetonitrile 843.27
    DMF 2087.92
    toluene 94.87
    isobutanol 694.42
    1,4-dioxane 1047.93
    methyl acetate 876.48
    THF 1971.67
    2-butanone 1150.85
    n-pentanol 390.34
    sec-butanol 1030.15
    n-hexane 10.36
    ethylene glycol 160.62
    NMP 856.52
    cyclohexane 14.34
    DMSO 1896.68
    n-butyl acetate 320.93
    n-octanol 104.39
    chloroform 630.56
    n-propyl acetate 302.9
    acetic acid 659.0
    dichloromethane 493.64
    cyclohexanone 742.23
    propylene glycol 543.91
    isopropyl acetate 377.3
    DMAc 1231.04
    2-ethoxyethanol 577.52
    isopentanol 598.43
    n-heptane 6.01
    ethyl formate 326.41
    1,2-dichloroethane 526.71
    n-hexanol 324.64
    2-methoxyethanol 1657.03
    isobutyl acetate 172.76
    tetrachloromethane 31.51
    n-pentyl acetate 124.42
    transcutol 1533.64
    n-heptanol 110.89
    ethylbenzene 55.32
    MIBK 349.11
    2-propoxyethanol 620.31
    tert-butanol 1260.57
    MTBE 573.89
    2-butoxyethanol 260.7
    propionic acid 516.15
    o-xylene 59.44
    formic acid 177.97
    diethyl ether 538.38
    m-xylene 75.79
    p-xylene 76.81
    chlorobenzene 160.34
    dimethyl carbonate 253.45
    n-octane 3.43
    formamide 537.15
    cyclopentanone 1195.15
    2-pentanone 788.65
    anisole 247.36
    cyclopentyl methyl ether 515.38
    gamma-butyrolactone 1152.51
    1-methoxy-2-propanol 1316.43
    pyridine 540.31
    3-pentanone 433.46
    furfural 559.88
    n-dodecane 4.71
    diethylene glycol 487.09
    diisopropyl ether 98.0
    tert-amyl alcohol 870.15
    acetylacetone 699.41
    n-hexadecane 5.37
    acetophenone 211.38
    methyl propionate 669.45
    isopentyl acetate 279.07
    trichloroethylene 932.44
    n-nonanol 94.86
    cyclohexanol 455.51
    benzyl alcohol 213.76
    2-ethylhexanol 134.61
    isooctanol 94.29
    dipropyl ether 123.21
    1,2-dichlorobenzene 138.29
    ethyl lactate 174.31
    propylene carbonate 490.63
    n-methylformamide 821.09
    2-pentanol 530.29
    n-pentane 9.27
    1-propoxy-2-propanol 405.28
    1-methoxy-2-propyl acetate 372.06
    2-(2-methoxypropoxy) propanol 309.12
    mesitylene 47.75
    ε-caprolactone 577.13
    p-cymene 38.5
    epichlorohydrin 1404.22
    1,1,1-trichloroethane 374.96
    2-aminoethanol 518.65
    morpholine-4-carbaldehyde 806.14
    sulfolane 1136.73
    2,2,4-trimethylpentane 10.72
    2-methyltetrahydrofuran 1130.23
    n-hexyl acetate 207.72
    isooctane 10.35
    2-(2-butoxyethoxy)ethanol 453.68
    sec-butyl acetate 199.36
    tert-butyl acetate 407.67
    decalin 11.98
    glycerin 455.3
    diglyme 711.6
    acrylic acid 349.84
    isopropyl myristate 84.62
    n-butyric acid 683.05
    acetyl acetate 301.97
    di(2-ethylhexyl) phthalate 80.41
    ethyl propionate 278.14
    nitromethane 1368.37
    1,2-diethoxyethane 323.68
    benzonitrile 217.07
    trioctyl phosphate 61.78
    1-bromopropane 250.65
    gamma-valerolactone 1103.08
    n-decanol 72.63
    triethyl phosphate 88.59
    4-methyl-2-pentanol 225.73
    propionitrile 578.57
    vinylene carbonate 351.28
    1,1,2-trichlorotrifluoroethane 606.55
    DMS 215.83
    cumene 42.74
    2-octanol 78.42
    2-hexanone 360.09
    octyl acetate 107.95
    limonene 63.25
    1,2-dimethoxyethane 785.57
    ethyl orthosilicate 81.41
    tributyl phosphate 84.62
    diacetone alcohol 661.51
    N,N-dimethylaniline 133.41
    acrylonitrile 644.48
    aniline 258.69
    1,3-propanediol 850.59
    bromobenzene 134.07
    dibromomethane 303.28
    1,1,2,2-tetrachloroethane 807.7
    2-methyl-cyclohexyl acetate 145.66
    tetrabutyl urea 102.32
    diisobutyl methanol 83.28
    2-phenylethanol 197.11
    styrene 71.96
    dioctyl adipate 129.12
    dimethyl sulfate 371.5
    ethyl butyrate 184.16
    methyl lactate 356.47
    butyl lactate 141.24
    diethyl carbonate 129.62
    propanediol butyl ether 291.32
    triethyl orthoformate 123.11
    p-tert-butyltoluene 42.88
    methyl 4-tert-butylbenzoate 174.74
    morpholine 1714.04
    tert-butylamine 456.97
    n-dodecanol 55.99
    dimethoxymethane 904.05
    ethylene carbonate 312.07
    cyrene 237.96
    2-ethoxyethyl acetate 224.04
    2-ethylhexyl acetate 185.46
    1,2,4-trichlorobenzene 180.93
    4-methylpyridine 498.37
    dibutyl ether 106.23
    2,6-dimethyl-4-heptanol 83.28
    DEF 635.57
    dimethyl isosorbide 439.51
    tetrachloroethylene 296.18
    eugenol 182.0
    triacetin 197.49
    span 80 227.11
    1,4-butanediol 193.58
    1,1-dichloroethane 533.99
    2-methyl-1-pentanol 307.53
    methyl formate 477.71
    2-methyl-1-butanol 557.65
    n-decane 6.75
    butyronitrile 508.12
    3,7-dimethyl-1-octanol 123.34
    1-chlorooctane 45.26
    1-chlorotetradecane 20.58
    n-nonane 5.74
    undecane 5.61
    tert-butylcyclohexane 13.48
    cyclooctane 4.44
    cyclopentanol 642.15
    tetrahydropyran 960.88
    tert-amyl methyl ether 350.84
    2,5,8-trioxanonane 508.31
    1-hexene 73.86
    2-isopropoxyethanol 378.69
    2,2,2-trifluoroethanol 152.21
    methyl butyrate 374.6

    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