Propyl salicylate

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  • Identifiers

    CAS number
    607-90-9

    Molecular formula
    C10H12O3

    SMILES
    CCCOC(=O)C1=CC=CC=C1O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 81.97%
    Floral 76.86%
    Green 76.35%
    Herbal 68.82%
    Balsamic 59.94%
    Fruity 50.64%
    Woody 45.63%
    Spicy 36.46%
    Anisic 36.18%
    Aromatic 35.01%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.41 (weak base)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point est.
    117.98 ˚C

  • Synonyms

    • Propyl salicylate
    • Propyl 2-Hydroxybenzoate
    • 607-90-9
    • Salicylic acid n-propyl ester
    • Propyl o-hydroxybenzoate
    • Salicylic acid, propyl ester
    • Benzoic acid, 2-hydroxy-, propyl ester
    • 8CP40IDZ6D
    • n-Propyl salicylate
    • DTXSID3046790
    • NSC 8221
    • NSC-8221
    • EINECS 210-145-3
    • MFCD00045763
    • AI3-23185
    • DTXCID1026790
    • PROPYL SALICYLATE [WHO-DD]
    • NCGC00180996-01
    • 29468-39-1
    • PropylSalicylate
    • UNII-8CP40IDZ6D
    • Salicylic Acid Propyl Ester
    • 2-Hydroxybenzoic Acid Propyl Ester
    • 2-Hydroxy-benzoic acid propyl ester
    • Benzoic acid, hydroxy-, propyl ester
    • SCHEMBL39575
    • Propyl salicylate, AldrichCPR
    • Salicylic acid, n-propyl ester
    • CHEMBL1986011
    • NSC8221
    • Tox21_112649
    • Salicylic acid, propyl ester (8CI)
    • AKOS008947778
    • FP71385
    • AS-58245
    • CAS-607-90-9
    • SY051034
    • DB-266726
    • CS-0187616
    • NS00034455
    • S0441
    • D85924
    • Q27270196
    • Z53833297
    • 210-145-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1437.75
    methanol 1663.73
    isopropanol 1160.08
    water 0.2
    ethyl acetate 703.89
    n-propanol 1134.71
    acetone 1654.55
    n-butanol 1153.09
    acetonitrile 791.22
    DMF 4092.45
    toluene 298.04
    isobutanol 856.25
    1,4-dioxane 1186.34
    methyl acetate 764.5
    THF 1856.65
    2-butanone 1115.18
    n-pentanol 593.59
    sec-butanol 1059.07
    n-hexane 24.84
    ethylene glycol 222.93
    NMP 1766.0
    cyclohexane 54.82
    DMSO 2684.66
    n-butyl acetate 496.03
    n-octanol 201.73
    chloroform 1178.47
    n-propyl acetate 392.01
    acetic acid 872.24
    dichloromethane 1186.63
    cyclohexanone 1328.27
    propylene glycol 417.07
    isopropyl acetate 361.41
    DMAc 1818.98
    2-ethoxyethanol 617.71
    isopentanol 769.04
    n-heptane 12.02
    ethyl formate 543.93
    1,2-dichloroethane 1234.05
    n-hexanol 476.64
    2-methoxyethanol 1644.08
    isobutyl acetate 216.33
    tetrachloromethane 70.61
    n-pentyl acetate 224.05
    transcutol 1442.82
    n-heptanol 173.72
    ethylbenzene 146.58
    MIBK 399.24
    2-propoxyethanol 667.67
    tert-butanol 1155.52
    MTBE 588.65
    2-butoxyethanol 336.46
    propionic acid 572.37
    o-xylene 160.03
    formic acid 245.93
    diethyl ether 641.69
    m-xylene 180.82
    p-xylene 168.72
    chlorobenzene 463.6
    dimethyl carbonate 355.22
    n-octane 7.02
    formamide 560.16
    cyclopentanone 1486.14
    2-pentanone 975.11
    anisole 375.47
    cyclopentyl methyl ether 697.52
    gamma-butyrolactone 1409.34
    1-methoxy-2-propanol 1179.49
    pyridine 1024.13
    3-pentanone 513.81
    furfural 1056.26
    n-dodecane 9.83
    diethylene glycol 561.27
    diisopropyl ether 121.37
    tert-amyl alcohol 876.95
    acetylacetone 740.68
    n-hexadecane 11.65
    acetophenone 358.74
    methyl propionate 713.23
    isopentyl acetate 385.42
    trichloroethylene 1934.66
    n-nonanol 158.57
    cyclohexanol 826.03
    benzyl alcohol 374.28
    2-ethylhexanol 203.96
    isooctanol 137.05
    dipropyl ether 170.6
    1,2-dichlorobenzene 359.14
    ethyl lactate 213.86
    propylene carbonate 702.83
    n-methylformamide 1323.52
    2-pentanol 671.45
    n-pentane 25.83
    1-propoxy-2-propanol 437.97
    1-methoxy-2-propyl acetate 405.24
    2-(2-methoxypropoxy) propanol 296.69
    mesitylene 101.21
    ε-caprolactone 888.61
    p-cymene 73.29
    epichlorohydrin 1726.68
    1,1,1-trichloroethane 663.6
    2-aminoethanol 521.81
    morpholine-4-carbaldehyde 1160.18
    sulfolane 1589.05
    2,2,4-trimethylpentane 20.13
    2-methyltetrahydrofuran 1091.17
    n-hexyl acetate 348.85
    isooctane 17.46
    2-(2-butoxyethoxy)ethanol 489.42
    sec-butyl acetate 233.2
    tert-butyl acetate 374.7
    decalin 29.68
    glycerin 460.06
    diglyme 900.91
    acrylic acid 529.46
    isopropyl myristate 115.21
    n-butyric acid 909.48
    acetyl acetate 349.04
    di(2-ethylhexyl) phthalate 111.27
    ethyl propionate 326.49
    nitromethane 1576.85
    1,2-diethoxyethane 360.81
    benzonitrile 477.44
    trioctyl phosphate 92.1
    1-bromopropane 524.6
    gamma-valerolactone 1462.97
    n-decanol 114.7
    triethyl phosphate 115.0
    4-methyl-2-pentanol 244.85
    propionitrile 695.89
    vinylene carbonate 622.84
    1,1,2-trichlorotrifluoroethane 929.56
    DMS 272.92
    cumene 86.67
    2-octanol 129.02
    2-hexanone 467.49
    octyl acetate 159.71
    limonene 118.56
    1,2-dimethoxyethane 1057.93
    ethyl orthosilicate 99.96
    tributyl phosphate 114.06
    diacetone alcohol 579.55
    N,N-dimethylaniline 205.89
    acrylonitrile 902.89
    aniline 514.66
    1,3-propanediol 919.48
    bromobenzene 440.82
    dibromomethane 784.98
    1,1,2,2-tetrachloroethane 1528.45
    2-methyl-cyclohexyl acetate 179.6
    tetrabutyl urea 162.66
    diisobutyl methanol 113.0
    2-phenylethanol 307.09
    styrene 225.89
    dioctyl adipate 168.39
    dimethyl sulfate 499.38
    ethyl butyrate 263.25
    methyl lactate 389.52
    butyl lactate 212.83
    diethyl carbonate 188.21
    propanediol butyl ether 410.44
    triethyl orthoformate 155.22
    p-tert-butyltoluene 72.35
    methyl 4-tert-butylbenzoate 228.23
    morpholine 1730.76
    tert-butylamine 525.58
    n-dodecanol 85.37
    dimethoxymethane 1276.54
    ethylene carbonate 511.71
    cyrene 288.54
    2-ethoxyethyl acetate 296.64
    2-ethylhexyl acetate 260.55
    1,2,4-trichlorobenzene 426.38
    4-methylpyridine 1071.97
    dibutyl ether 187.4
    2,6-dimethyl-4-heptanol 113.0
    DEF 1232.2
    dimethyl isosorbide 412.86
    tetrachloroethylene 730.64
    eugenol 263.5
    triacetin 244.7
    span 80 254.35
    1,4-butanediol 252.45
    1,1-dichloroethane 978.98
    2-methyl-1-pentanol 447.68
    methyl formate 851.17
    2-methyl-1-butanol 808.71
    n-decane 14.78
    butyronitrile 833.46
    3,7-dimethyl-1-octanol 189.52
    1-chlorooctane 104.29
    1-chlorotetradecane 39.58
    n-nonane 13.03
    undecane 11.69
    tert-butylcyclohexane 27.26
    cyclooctane 13.8
    cyclopentanol 821.04
    tetrahydropyran 1280.27
    tert-amyl methyl ether 412.63
    2,5,8-trioxanonane 540.35
    1-hexene 175.28
    2-isopropoxyethanol 373.0
    2,2,2-trifluoroethanol 220.74
    methyl butyrate 536.68

    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