Isopropyl salicylate

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  • Identifiers

    CAS number
    607-85-2

    Molecular formula
    C10H12O3

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

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Sweet 74.66%
    Herbal 72.06%
    Green 70.91%
    Fruity 66.35%
    Floral 63.17%
    Balsamic 48.64%
    Woody 37.99%
    Spicy 34.94%
    Mint 34.94%
    Phenolic 33.55%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.43 (weak base)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    236°C

    Flash point est.
    119.43 ˚C

  • Synonyms

    • ISOPROPYL SALICYLATE
    • 607-85-2
    • Isopropyl 2-Hydroxybenzoate
    • propan-2-yl 2-hydroxybenzoate
    • Salicylic acid, isopropyl ester
    • Iso-propyl salicylate
    • Salicylic Acid Isopropyl Ester
    • Isopropyl o-hydroxybenzoate
    • Benzoic acid, 2-hydroxy-, 1-methylethyl ester
    • 1-methylethyl 2-hydroxybenzoate
    • MFCD00035703
    • B2265SZU9K
    • AI3-00511
    • EINECS 210-143-2
    • 2-Hydroxybenzoic Acid Isopropyl Ester
    • DTXSID1060556
    • CHEBI:38703
    • Isopropyl Salicylate; 2-Hydroxybenzoic acid 1-methylethyl ester; Salicylic acid, isopropyl ester (6CI,7CI,8CI); 2-Hydroxybenzoic acid isopropyl ester; Isopropyl o-hydroxybenzoate; Isopropyl salicylate
    • 607-06-7
    • OPROPYL SALICYLATE
    • UNII-B2265SZU9K
    • SCHEMBL39139
    • DTXCID1042863
    • Isopropyl salicylate, AldrichCPR
    • 2-hydroxy-benzoic acid isopropyl ester
    • AKOS008947777
    • FI67035
    • BS-23587
    • SY049399
    • CS-0154174
    • NS00034453
    • S0014
    • D92211
    • Q27117952
    • 210-143-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 480.07
    methanol 530.64
    isopropanol 420.01
    water 0.99
    ethyl acetate 182.91
    n-propanol 349.39
    acetone 495.01
    n-butanol 330.49
    acetonitrile 232.45
    DMF 1443.32
    toluene 45.07
    isobutanol 239.2
    1,4-dioxane 500.68
    methyl acetate 217.6
    THF 967.3
    2-butanone 257.93
    n-pentanol 188.59
    sec-butanol 292.88
    n-hexane 12.01
    ethylene glycol 145.34
    NMP 761.72
    cyclohexane 24.23
    DMSO 988.07
    n-butyl acetate 138.69
    n-octanol 115.33
    chloroform 414.97
    n-propyl acetate 119.86
    acetic acid 441.24
    dichloromethane 363.96
    cyclohexanone 417.88
    propylene glycol 284.77
    isopropyl acetate 107.29
    DMAc 671.13
    2-ethoxyethanol 210.2
    isopentanol 219.98
    n-heptane 9.16
    ethyl formate 210.58
    1,2-dichloroethane 244.76
    n-hexanol 208.66
    2-methoxyethanol 582.78
    isobutyl acetate 76.89
    tetrachloromethane 29.86
    n-pentyl acetate 84.39
    transcutol 411.76
    n-heptanol 89.36
    ethylbenzene 41.11
    MIBK 131.53
    2-propoxyethanol 312.92
    tert-butanol 451.7
    MTBE 152.62
    2-butoxyethanol 152.59
    propionic acid 268.02
    o-xylene 45.5
    formic acid 124.17
    diethyl ether 130.59
    m-xylene 46.84
    p-xylene 56.98
    chlorobenzene 121.26
    dimethyl carbonate 128.59
    n-octane 5.52
    formamide 206.48
    cyclopentanone 595.79
    2-pentanone 224.85
    anisole 131.15
    cyclopentyl methyl ether 244.92
    gamma-butyrolactone 647.59
    1-methoxy-2-propanol 484.54
    pyridine 247.27
    3-pentanone 135.56
    furfural 438.99
    n-dodecane 8.3
    diethylene glycol 278.55
    diisopropyl ether 37.99
    tert-amyl alcohol 281.74
    acetylacetone 263.25
    n-hexadecane 9.19
    acetophenone 134.19
    methyl propionate 195.4
    isopentyl acetate 115.6
    trichloroethylene 437.35
    n-nonanol 95.75
    cyclohexanol 270.93
    benzyl alcohol 137.91
    2-ethylhexanol 94.25
    isooctanol 70.45
    dipropyl ether 74.77
    1,2-dichlorobenzene 109.11
    ethyl lactate 113.67
    propylene carbonate 350.56
    n-methylformamide 396.85
    2-pentanol 191.75
    n-pentane 11.04
    1-propoxy-2-propanol 203.44
    1-methoxy-2-propyl acetate 155.67
    2-(2-methoxypropoxy) propanol 164.76
    mesitylene 36.54
    ε-caprolactone 312.24
    p-cymene 38.32
    epichlorohydrin 553.4
    1,1,1-trichloroethane 175.91
    2-aminoethanol 265.91
    morpholine-4-carbaldehyde 494.12
    sulfolane 811.26
    2,2,4-trimethylpentane 10.04
    2-methyltetrahydrofuran 409.32
    n-hexyl acetate 154.46
    isooctane 8.63
    2-(2-butoxyethoxy)ethanol 230.08
    sec-butyl acetate 73.22
    tert-butyl acetate 127.83
    decalin 14.78
    glycerin 316.17
    diglyme 342.12
    acrylic acid 245.57
    isopropyl myristate 66.19
    n-butyric acid 349.64
    acetyl acetate 134.83
    di(2-ethylhexyl) phthalate 74.5
    ethyl propionate 115.88
    nitromethane 534.46
    1,2-diethoxyethane 114.79
    benzonitrile 156.42
    trioctyl phosphate 63.53
    1-bromopropane 120.37
    gamma-valerolactone 567.75
    n-decanol 75.13
    triethyl phosphate 66.48
    4-methyl-2-pentanol 96.33
    propionitrile 190.3
    vinylene carbonate 294.57
    1,1,2-trichlorotrifluoroethane 359.23
    DMS 132.35
    cumene 36.63
    2-octanol 68.47
    2-hexanone 139.44
    octyl acetate 90.0
    limonene 57.26
    1,2-dimethoxyethane 388.57
    ethyl orthosilicate 59.04
    tributyl phosphate 72.09
    diacetone alcohol 242.74
    N,N-dimethylaniline 95.22
    acrylonitrile 241.02
    aniline 134.98
    1,3-propanediol 355.33
    bromobenzene 100.37
    dibromomethane 227.6
    1,1,2,2-tetrachloroethane 377.29
    2-methyl-cyclohexyl acetate 101.86
    tetrabutyl urea 98.07
    diisobutyl methanol 61.19
    2-phenylethanol 135.87
    styrene 52.25
    dioctyl adipate 101.11
    dimethyl sulfate 226.25
    ethyl butyrate 101.46
    methyl lactate 197.04
    butyl lactate 104.93
    diethyl carbonate 86.15
    propanediol butyl ether 198.26
    triethyl orthoformate 76.43
    p-tert-butyltoluene 38.89
    methyl 4-tert-butylbenzoate 136.4
    morpholine 572.62
    tert-butylamine 203.25
    n-dodecanol 58.66
    dimethoxymethane 446.58
    ethylene carbonate 238.4
    cyrene 193.05
    2-ethoxyethyl acetate 108.32
    2-ethylhexyl acetate 83.53
    1,2,4-trichlorobenzene 143.21
    4-methylpyridine 239.39
    dibutyl ether 79.05
    2,6-dimethyl-4-heptanol 61.19
    DEF 286.15
    dimethyl isosorbide 258.43
    tetrachloroethylene 178.28
    eugenol 143.62
    triacetin 139.62
    span 80 167.39
    1,4-butanediol 132.95
    1,1-dichloroethane 238.91
    2-methyl-1-pentanol 151.49
    methyl formate 325.11
    2-methyl-1-butanol 206.67
    n-decane 11.28
    butyronitrile 213.08
    3,7-dimethyl-1-octanol 99.58
    1-chlorooctane 55.06
    1-chlorotetradecane 25.33
    n-nonane 10.22
    undecane 9.51
    tert-butylcyclohexane 14.88
    cyclooctane 6.65
    cyclopentanol 378.31
    tetrahydropyran 394.43
    tert-amyl methyl ether 117.79
    2,5,8-trioxanonane 274.53
    1-hexene 55.08
    2-isopropoxyethanol 142.55
    2,2,2-trifluoroethanol 125.36
    methyl butyrate 170.09

    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