2-Methylbutyl salicylate

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  • Identifiers

    CAS number
    51115-63-0

    Molecular formula
    C12H16O3

    SMILES
    CCC(C)COC(=O)C1=CC=CC=C1O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 85.0%
    Green 84.36%
    Sweet 82.0%
    Herbal 71.07%
    Balsamic 69.38%
    Woody 54.99%
    Fruity 47.34%
    Spicy 39.52%
    Fresh 36.0%
    Leafy 31.09%

     

    Flavor
    Herbal 50.47%
    Woody 38.85%
    Spicy 31.79%
    Floral 29.51%
    Bitter 29.46%
    Balsam 27.44%
    Warm 23.96%
    Sweet 23.39%
    Ethyl benzoate 22.51%
    Lovage 21.66%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.12 (weak base)

    Molecular weight
    208.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    267°C

    Flash point

    • 126.63 ˚C est.

  • Synonyms

    • 2-Methylbutyl salicylate
    • 51115-63-0
    • 2-methylbutyl 2-hydroxybenzoate
    • Benzoic acid, 2-hydroxy-, 2-methylbutyl ester
    • EINECS 256-972-3
    • DTXSID3052145
    • 2-Methylbutyl salicylate #
    • SCHEMBL1552226
    • DTXCID8030714
    • DB-314163
    • NS00019526
    • 256-972-3

  • Applications

    Chemical name: 2-Methylbutyl salicylate; CAS number: 51115-63-0 is primarily used as a fragrance ingredient and odorant in perfumery, often functioning as a fixative to help stabilize and extend aroma profiles; it is also employed in cosmetics and personal care products such as lotions, creams, and shampoos to impart a pear- or floral-like note; in household products it may appear in air fresheners, scented cleaners, and laundry formulations to deliver a pleasant scent; in industrial manufacturing it can be used in scented formulations for coatings, inks, and specialty cleaners as a fragrance component; and it may serve as an intermediate or formulation precursor in fragrance synthesis and development, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6407.86
    methanol 7145.27
    isopropanol 4008.89
    water 0.25
    ethyl acetate 3936.43
    n-propanol 5480.1
    acetone 5284.73
    n-butanol 4611.63
    acetonitrile 3891.6
    DMF 7697.1
    toluene 904.21
    isobutanol 3720.84
    1,4-dioxane 3122.87
    methyl acetate 3419.02
    THF 3857.41
    2-butanone 4955.93
    n-pentanol 1703.91
    sec-butanol 4123.86
    n-hexane 50.82
    ethylene glycol 498.03
    NMP 2819.27
    cyclohexane 105.59
    DMSO 5291.98
    n-butyl acetate 1332.31
    n-octanol 256.99
    chloroform 2702.23
    n-propyl acetate 1249.86
    acetic acid 2078.18
    dichloromethane 2608.08
    cyclohexanone 3338.6
    propylene glycol 1252.23
    isopropyl acetate 1565.04
    DMAc 4061.7
    2-ethoxyethanol 1878.79
    isopentanol 2791.71
    n-heptane 13.72
    ethyl formate 1539.43
    1,2-dichloroethane 3238.82
    n-hexanol 1342.31
    2-methoxyethanol 5405.65
    isobutyl acetate 587.04
    tetrachloromethane 159.24
    n-pentyl acetate 442.58
    transcutol 4057.22
    n-heptanol 319.4
    ethylbenzene 329.65
    MIBK 1236.1
    2-propoxyethanol 1967.35
    tert-butanol 3546.28
    MTBE 2471.56
    2-butoxyethanol 711.79
    propionic acid 1887.05
    o-xylene 374.94
    formic acid 669.55
    diethyl ether 2978.83
    m-xylene 432.98
    p-xylene 385.33
    chlorobenzene 1095.01
    dimethyl carbonate 788.22
    n-octane 7.06
    formamide 1995.57
    cyclopentanone 3490.19
    2-pentanone 3533.46
    anisole 974.51
    cyclopentyl methyl ether 1792.87
    gamma-butyrolactone 3118.63
    1-methoxy-2-propanol 3576.95
    pyridine 3319.61
    3-pentanone 2128.4
    furfural 2038.26
    n-dodecane 7.48
    diethylene glycol 1261.59
    diisopropyl ether 424.62
    tert-amyl alcohol 3211.83
    acetylacetone 2299.1
    n-hexadecane 9.19
    acetophenone 783.55
    methyl propionate 3109.81
    isopentyl acetate 1094.78
    trichloroethylene 4855.23
    n-nonanol 218.86
    cyclohexanol 2174.86
    benzyl alcohol 893.74
    2-ethylhexanol 458.42
    isooctanol 259.12
    dipropyl ether 383.3
    1,2-dichlorobenzene 721.1
    ethyl lactate 429.45
    propylene carbonate 1324.99
    n-methylformamide 4070.76
    2-pentanol 2333.54
    n-pentane 58.2
    1-propoxy-2-propanol 1139.76
    1-methoxy-2-propyl acetate 1126.91
    2-(2-methoxypropoxy) propanol 589.82
    mesitylene 202.67
    ε-caprolactone 2477.74
    p-cymene 111.45
    epichlorohydrin 4829.48
    1,1,1-trichloroethane 1767.11
    2-aminoethanol 1815.62
    morpholine-4-carbaldehyde 2523.15
    sulfolane 2654.28
    2,2,4-trimethylpentane 38.15
    2-methyltetrahydrofuran 3319.02
    n-hexyl acetate 620.57
    isooctane 31.39
    2-(2-butoxyethoxy)ethanol 1047.35
    sec-butyl acetate 771.46
    tert-butyl acetate 1292.56
    decalin 47.15
    glycerin 1005.77
    diglyme 1832.36
    acrylic acid 1273.04
    isopropyl myristate 178.95
    n-butyric acid 2946.82
    acetyl acetate 1034.9
    di(2-ethylhexyl) phthalate 172.28
    ethyl propionate 1069.33
    nitromethane 4517.55
    1,2-diethoxyethane 1029.23
    benzonitrile 1063.69
    trioctyl phosphate 124.9
    1-bromopropane 1572.0
    gamma-valerolactone 3965.43
    n-decanol 153.28
    triethyl phosphate 192.11
    4-methyl-2-pentanol 713.9
    propionitrile 2753.96
    vinylene carbonate 1168.12
    1,1,2-trichlorotrifluoroethane 1939.67
    DMS 579.89
    cumene 165.17
    2-octanol 202.4
    2-hexanone 1382.19
    octyl acetate 243.64
    limonene 202.94
    1,2-dimethoxyethane 2642.76
    ethyl orthosilicate 181.74
    tributyl phosphate 179.1
    diacetone alcohol 1655.47
    N,N-dimethylaniline 405.12
    acrylonitrile 3266.92
    aniline 1604.1
    1,3-propanediol 3034.44
    bromobenzene 991.19
    dibromomethane 1720.25
    1,1,2,2-tetrachloroethane 3899.37
    2-methyl-cyclohexyl acetate 368.92
    tetrabutyl urea 221.22
    diisobutyl methanol 207.92
    2-phenylethanol 673.36
    styrene 510.48
    dioctyl adipate 268.96
    dimethyl sulfate 874.91
    ethyl butyrate 642.27
    methyl lactate 939.87
    butyl lactate 399.02
    diethyl carbonate 376.02
    propanediol butyl ether 721.86
    triethyl orthoformate 314.74
    p-tert-butyltoluene 112.82
    methyl 4-tert-butylbenzoate 379.05
    morpholine 5524.87
    tert-butylamine 1474.6
    n-dodecanol 108.14
    dimethoxymethane 2992.11
    ethylene carbonate 1094.43
    cyrene 471.61
    2-ethoxyethyl acetate 743.85
    2-ethylhexyl acetate 699.07
    1,2,4-trichlorobenzene 843.76
    4-methylpyridine 3322.97
    dibutyl ether 308.89
    2,6-dimethyl-4-heptanol 207.92
    DEF 3700.01
    dimethyl isosorbide 822.86
    tetrachloroethylene 1673.63
    eugenol 433.01
    triacetin 442.43
    span 80 436.07
    1,4-butanediol 617.34
    1,1-dichloroethane 2895.03
    2-methyl-1-pentanol 1325.65
    methyl formate 1912.47
    2-methyl-1-butanol 3244.37
    n-decane 12.03
    butyronitrile 2594.81
    3,7-dimethyl-1-octanol 323.34
    1-chlorooctane 121.36
    1-chlorotetradecane 40.72
    n-nonane 10.69
    undecane 9.26
    tert-butylcyclohexane 40.85
    cyclooctane 22.96
    cyclopentanol 2192.45
    tetrahydropyran 3977.46
    tert-amyl methyl ether 1480.34
    2,5,8-trioxanonane 1006.16
    1-hexene 454.16
    2-isopropoxyethanol 1132.23
    2,2,2-trifluoroethanol 451.35
    methyl butyrate 1662.53

    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