Pentyl 4-methylsalicylate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    94135-10-1

    Molecular formula
    C13H18O3

    SMILES
    CCCCCOC(=O)C1=C(C=C(C=C1)C)O

  • Odor profile

    Fragrance
    Floral 84.03%
    Sweet 70.04%
    Herbal 63.56%
    Green 61.21%
    Balsamic 55.38%
    Fruity 46.37%
    Woody 45.61%
    Spicy 38.13%
    Fresh 31.83%
    Aromatic 29.68%

     

    Flavor
    Herbal 46.71%
    Woody 45.07%
    Spicy 35.39%
    Bitter 29.92%
    Floral 29.19%
    Balsam 28.92%
    Spice 25.7%
    Warm 24.82%
    Ethyl benzoate 23.12%
    Lovage 22.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    8.35 (weak base)

    Molecular weight
    222.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    293°C

    Flash point

    • 137.06 ˚C est.

  • Synonyms

    • Pentyl 4-methylsalicylate
    • 94135-10-1
    • EINECS 302-878-3
    • SCHEMBL7518188
    • DTXSID60240743
    • VVBBTBUELOAEDJ-UHFFFAOYSA-N
    • NS00040136

  • Applications

    Pentyl 4-methylsalicylate (CAS 94135-10-1) is primarily used in perfumery as an odorant and fragrance ingredient, where it often acts as a fixative to help extend scent longevity; it is also employed in cosmetics and personal care products to impart a distinctive aroma. In household products such as air fresheners and cleaners, it contributes fragrance notes, and it may be evaluated for use as a flavor/aroma component in select food and beverage formulations. Additionally, it can function as an intermediate in fragrance synthesis within industrial manufacturing. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6456.49
    methanol 7931.95
    isopropanol 3375.74
    water 0.11
    ethyl acetate 3592.9
    n-propanol 4963.79
    acetone 5658.12
    n-butanol 3795.53
    acetonitrile 3499.92
    DMF 7905.91
    toluene 748.03
    isobutanol 2835.42
    1,4-dioxane 2913.35
    methyl acetate 2743.29
    THF 5276.38
    2-butanone 3946.11
    n-pentanol 1475.18
    sec-butanol 2910.81
    n-hexane 55.08
    ethylene glycol 510.16
    NMP 4041.48
    cyclohexane 106.12
    DMSO 7168.31
    n-butyl acetate 1239.86
    n-octanol 203.98
    chloroform 2973.06
    n-propyl acetate 1056.58
    acetic acid 2069.41
    dichloromethane 3526.85
    cyclohexanone 3873.69
    propylene glycol 1080.55
    isopropyl acetate 1545.11
    DMAc 3303.63
    2-ethoxyethanol 1842.56
    isopentanol 2265.65
    n-heptane 15.48
    ethyl formate 1343.39
    1,2-dichloroethane 4137.81
    n-hexanol 1083.0
    2-methoxyethanol 5808.11
    isobutyl acetate 541.23
    tetrachloromethane 196.08
    n-pentyl acetate 434.91
    transcutol 4089.67
    n-heptanol 260.03
    ethylbenzene 242.87
    MIBK 1226.9
    2-propoxyethanol 1897.53
    tert-butanol 2633.98
    MTBE 1938.16
    2-butoxyethanol 619.74
    propionic acid 1665.73
    o-xylene 298.39
    formic acid 614.41
    diethyl ether 2728.79
    m-xylene 405.03
    p-xylene 290.5
    chlorobenzene 1211.42
    dimethyl carbonate 858.54
    n-octane 7.22
    formamide 1827.55
    cyclopentanone 4546.61
    2-pentanone 3406.24
    anisole 737.46
    cyclopentyl methyl ether 2231.4
    gamma-butyrolactone 4247.55
    1-methoxy-2-propanol 3521.42
    pyridine 3023.66
    3-pentanone 1854.33
    furfural 2117.03
    n-dodecane 7.47
    diethylene glycol 1352.44
    diisopropyl ether 417.42
    tert-amyl alcohol 2061.09
    acetylacetone 2463.17
    n-hexadecane 9.28
    acetophenone 634.12
    methyl propionate 2812.86
    isopentyl acetate 983.45
    trichloroethylene 5553.17
    n-nonanol 183.83
    cyclohexanol 2145.05
    benzyl alcohol 736.33
    2-ethylhexanol 382.69
    isooctanol 205.42
    dipropyl ether 398.05
    1,2-dichlorobenzene 800.65
    ethyl lactate 390.31
    propylene carbonate 1614.22
    n-methylformamide 3877.11
    2-pentanol 1790.34
    n-pentane 57.84
    1-propoxy-2-propanol 1052.67
    1-methoxy-2-propyl acetate 1140.18
    2-(2-methoxypropoxy) propanol 583.41
    mesitylene 206.74
    ε-caprolactone 2647.44
    p-cymene 107.74
    epichlorohydrin 6181.25
    1,1,1-trichloroethane 1965.62
    2-aminoethanol 1802.11
    morpholine-4-carbaldehyde 2935.11
    sulfolane 4219.42
    2,2,4-trimethylpentane 35.01
    2-methyltetrahydrofuran 4026.38
    n-hexyl acetate 585.45
    isooctane 31.67
    2-(2-butoxyethoxy)ethanol 985.55
    sec-butyl acetate 645.98
    tert-butyl acetate 1443.29
    decalin 48.15
    glycerin 1023.98
    diglyme 1777.75
    acrylic acid 1167.14
    isopropyl myristate 192.4
    n-butyric acid 2805.53
    acetyl acetate 1144.19
    di(2-ethylhexyl) phthalate 186.94
    ethyl propionate 907.3
    nitromethane 4477.83
    1,2-diethoxyethane 1094.98
    benzonitrile 881.84
    trioctyl phosphate 140.89
    1-bromopropane 1720.26
    gamma-valerolactone 4640.7
    n-decanol 130.4
    triethyl phosphate 201.7
    4-methyl-2-pentanol 577.13
    propionitrile 2380.99
    vinylene carbonate 1251.73
    1,1,2-trichlorotrifluoroethane 2179.52
    DMS 611.09
    cumene 136.89
    2-octanol 157.66
    2-hexanone 1166.41
    octyl acetate 258.79
    limonene 198.51
    1,2-dimethoxyethane 2360.06
    ethyl orthosilicate 191.13
    tributyl phosphate 196.79
    diacetone alcohol 1656.68
    N,N-dimethylaniline 349.78
    acrylonitrile 2721.61
    aniline 1446.86
    1,3-propanediol 2818.85
    bromobenzene 1187.29
    dibromomethane 2265.32
    1,1,2,2-tetrachloroethane 4225.65
    2-methyl-cyclohexyl acetate 374.32
    tetrabutyl urea 253.33
    diisobutyl methanol 186.86
    2-phenylethanol 585.0
    styrene 380.52
    dioctyl adipate 300.42
    dimethyl sulfate 1135.26
    ethyl butyrate 577.31
    methyl lactate 922.53
    butyl lactate 391.12
    diethyl carbonate 349.09
    propanediol butyl ether 628.82
    triethyl orthoformate 321.32
    p-tert-butyltoluene 110.68
    methyl 4-tert-butylbenzoate 388.2
    morpholine 5822.14
    tert-butylamine 1206.68
    n-dodecanol 94.79
    dimethoxymethane 3730.57
    ethylene carbonate 1201.49
    cyrene 534.65
    2-ethoxyethyl acetate 757.84
    2-ethylhexyl acetate 647.54
    1,2,4-trichlorobenzene 958.26
    4-methylpyridine 3101.41
    dibutyl ether 296.41
    2,6-dimethyl-4-heptanol 186.86
    DEF 3355.71
    dimethyl isosorbide 989.26
    tetrachloroethylene 1848.36
    eugenol 415.74
    triacetin 451.58
    span 80 450.04
    1,4-butanediol 593.22
    1,1-dichloroethane 3124.13
    2-methyl-1-pentanol 1117.0
    methyl formate 1938.21
    2-methyl-1-butanol 2422.07
    n-decane 12.09
    butyronitrile 2519.88
    3,7-dimethyl-1-octanol 265.3
    1-chlorooctane 117.33
    1-chlorotetradecane 43.37
    n-nonane 10.69
    undecane 9.33
    tert-butylcyclohexane 41.3
    cyclooctane 24.44
    cyclopentanol 2313.67
    tetrahydropyran 4242.36
    tert-amyl methyl ether 1149.57
    2,5,8-trioxanonane 1028.48
    1-hexene 393.65
    2-isopropoxyethanol 1015.59
    2,2,2-trifluoroethanol 416.54
    methyl butyrate 1313.66

    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