Isoamyl salicylate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    87-20-7

    Molecular formula
    C12H16O3

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1531.0
    • Carbowax: 2021.0

  • Odor profile

    Green 84.28%
    Herbal 78.12%
    Sweet 77.76%
    Floral 75.52%
    Balsamic 71.55%
    Woody 55.81%
    Fruity 39.91%
    Spicy 38.77%
    Fresh 36.39%
    Cortex 31.36%

    Scent© AI

  • Properties

    XLogP3-AA
    4.6

    Molecular weight
    208.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 277.00 to 278.00 °C. @ 760.00 mm Hg

    Flash point est.
    124.38 ˚C

    Solubility expt.

    • 0.145 mg/mL at 25 °C
    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • Isoamyl salicylate
    • 87-20-7
    • Isopentyl 2-Hydroxybenzoate
    • 3-Methylbutyl 2-hydroxybenzoate
    • Isoamyl o-hydroxybenzoate
    • Isopentyl salicylate
    • 3-Methylbutyl salicylate
    • Benzoic acid, 2-hydroxy-, 3-methylbutyl ester
    • Salicylic acid, isopentyl ester
    • Isopentyl o-hydroxybenzoate
    • Orchidee
    • Sanfoin
    • Isopentyl-2-hydroxyphenyl methanoate
    • FEMA No. 2084
    • 3-Methylbutyl o-hydroxybenzoate
    • iso-amyl salicylate
    • NSC 7952
    • 34377-38-3
    • Isoamyl salicylate (natural)
    • Tressane
    • Isoamylester kyseliny salicylove
    • Trefle
    • Trefol
    • 2-Hydroxybenzoic acid, 3-methylbutyl ester
    • UNII-M25E4ZMR0N
    • EINECS 201-730-4
    • M25E4ZMR0N
    • Iso Amyl Salicylate
    • BRN 2580465
    • Isoamylester kyseliny salicylove [Czech]
    • AI3-00378
    • NSC-7952
    • ISOAMYL SALICYLATE [MI]
    • AMYL SALICYLATE [MART.]
    • DTXSID9041655
    • ISOAMYL SALICYLATE [FCC]
    • Benzoic acid, o-hydroxy, 3-methylbutyl ester
    • ISOAMYL SALICYLATE [FHFI]
    • ISOPENTYL ALCOHOL, SALICYLATE
    • AMYL SALICYLATE (MART.)
    • isopentylsalicylat
    • MFCD00020037
    • isoamyl salicylic acid
    • Salicylic Acid Isoamyl Ester
    • SCHEMBL113328
    • WLN: QR BVO2Y1&1
    • (3-methyl-1-butyl) salicylate
    • CHEMBL2260718
    • DTXCID7021655
    • NSC7952
    • CHEBI:173601
    • 3-Methylbutyl 2-hydroxybenzoic acid
    • BBL027857
    • STL373056
    • AKOS015856348
    • DS-17837
    • Isoamyl salicylate, natural, >=98%, FCC
    • NS00012665
    • E78224
    • Q2214309
    • Isoamyl Salicylate (contains 2-Methylbutyl Salicylate)
    • Salicylic acid isoamyl ester (contains 2-Methylbutyl salicylate)

  • Applications

    Isoamyl salicylate (CAS 87-20-7) is a versatile fragrance ingredient for fine perfumery and personal/home care, prized for a sweet floral–balsamic, slightly fruity jasmine/ylang-like tonality; it acts as a rounder, fixative, and mild solvent; used in soaps, detergents, shampoos, deodorants, fabric softeners, candles, and air-care; in compositions it builds lily-of-the-valley, carnation, and neroli accords, bridges fruity facets with white florals, and softens green/harsh notes; the salicylate chromophore provides useful UV absorption that helps light-stabilize fragrances and some cosmetic bases (not an approved sunscreen filter), and it serves as a cost-effective modifier/blender; it shows good compatibility with common solvents, resinoids, and carrier oils, is stable at neutral to slightly acidic pH, and is typically dosed within IFRA guideline limits for the intended product class.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4852.27
    methanol 4262.93
    isopropanol 3365.88
    water 0.26
    ethyl acetate 2082.94
    n-propanol 3526.58
    acetone 4319.61
    n-butanol 2733.44
    acetonitrile 2324.56
    DMF 5367.26
    toluene 300.79
    isobutanol 2216.77
    1,4-dioxane 2096.69
    methyl acetate 2009.71
    THF 4123.1
    2-butanone 2933.18
    n-pentanol 1054.54
    sec-butanol 2620.8
    n-hexane 30.16
    ethylene glycol 446.45
    NMP 2318.22
    cyclohexane 55.07
    DMSO 4975.51
    n-butyl acetate 835.72
    n-octanol 213.08
    chloroform 1727.18
    n-propyl acetate 733.38
    acetic acid 2025.62
    dichloromethane 1629.31
    cyclohexanone 2398.95
    propylene glycol 1210.13
    isopropyl acetate 947.88
    DMAc 2535.81
    2-ethoxyethanol 1186.9
    isopentanol 1532.04
    n-heptane 12.46
    ethyl formate 967.87
    1,2-dichloroethane 1834.14
    n-hexanol 891.81
    2-methoxyethanol 3979.34
    isobutyl acetate 377.36
    tetrachloromethane 96.06
    n-pentyl acetate 297.88
    transcutol 2945.49
    n-heptanol 234.87
    ethylbenzene 136.89
    MIBK 846.12
    2-propoxyethanol 1451.94
    tert-butanol 2551.92
    MTBE 1267.86
    2-butoxyethanol 515.46
    propionic acid 1499.84
    o-xylene 154.54
    formic acid 507.78
    diethyl ether 1271.29
    m-xylene 195.1
    p-xylene 185.1
    chlorobenzene 580.42
    dimethyl carbonate 511.77
    n-octane 6.6
    formamide 1296.96
    cyclopentanone 3276.72
    2-pentanone 2153.03
    anisole 472.17
    cyclopentyl methyl ether 1281.58
    gamma-butyrolactone 3037.13
    1-methoxy-2-propanol 2790.45
    pyridine 1667.82
    3-pentanone 1099.57
    furfural 1490.4
    n-dodecane 7.68
    diethylene glycol 1073.65
    diisopropyl ether 231.02
    tert-amyl alcohol 1854.46
    acetylacetone 1688.88
    n-hexadecane 9.01
    acetophenone 449.08
    methyl propionate 1714.67
    isopentyl acetate 694.2
    trichloroethylene 2926.53
    n-nonanol 184.29
    cyclohexanol 1404.4
    benzyl alcohol 509.81
    2-ethylhexanol 308.98
    isooctanol 189.26
    dipropyl ether 264.89
    1,2-dichlorobenzene 409.46
    ethyl lactate 342.38
    propylene carbonate 1251.43
    n-methylformamide 2522.47
    2-pentanol 1403.25
    n-pentane 30.67
    1-propoxy-2-propanol 876.34
    1-methoxy-2-propyl acetate 821.18
    2-(2-methoxypropoxy) propanol 515.99
    mesitylene 114.81
    ε-caprolactone 1716.67
    p-cymene 77.54
    epichlorohydrin 3740.57
    1,1,1-trichloroethane 1125.0
    2-aminoethanol 1422.55
    morpholine-4-carbaldehyde 1948.24
    sulfolane 2864.24
    2,2,4-trimethylpentane 22.99
    2-methyltetrahydrofuran 2674.62
    n-hexyl acetate 465.93
    isooctane 22.33
    2-(2-butoxyethoxy)ethanol 843.76
    sec-butyl acetate 433.89
    tert-butyl acetate 917.08
    decalin 27.96
    glycerin 969.14
    diglyme 1282.73
    acrylic acid 984.51
    isopropyl myristate 157.23
    n-butyric acid 2262.39
    acetyl acetate 706.23
    di(2-ethylhexyl) phthalate 156.73
    ethyl propionate 611.88
    nitromethane 3557.79
    1,2-diethoxyethane 652.87
    benzonitrile 593.66
    trioctyl phosphate 118.01
    1-bromopropane 834.26
    gamma-valerolactone 3190.04
    n-decanol 135.16
    triethyl phosphate 156.13
    4-methyl-2-pentanol 473.39
    propionitrile 1547.78
    vinylene carbonate 914.62
    1,1,2-trichlorotrifluoroethane 1509.03
    DMS 444.13
    cumene 88.59
    2-octanol 154.3
    2-hexanone 827.41
    octyl acetate 216.7
    limonene 138.25
    1,2-dimethoxyethane 1619.22
    ethyl orthosilicate 144.33
    tributyl phosphate 163.92
    diacetone alcohol 1332.81
    N,N-dimethylaniline 238.78
    acrylonitrile 1759.93
    aniline 749.51
    1,3-propanediol 2294.68
    bromobenzene 508.41
    dibromomethane 1035.33
    1,1,2,2-tetrachloroethane 2431.14
    2-methyl-cyclohexyl acetate 293.44
    tetrabutyl urea 199.23
    diisobutyl methanol 163.45
    2-phenylethanol 438.72
    styrene 201.29
    dioctyl adipate 252.97
    dimethyl sulfate 711.93
    ethyl butyrate 415.1
    methyl lactate 740.51
    butyl lactate 313.18
    diethyl carbonate 264.9
    propanediol butyl ether 609.74
    triethyl orthoformate 240.33
    p-tert-butyltoluene 83.32
    methyl 4-tert-butylbenzoate 323.95
    morpholine 3725.58
    tert-butylamine 974.4
    n-dodecanol 98.36
    dimethoxymethane 1987.65
    ethylene carbonate 831.0
    cyrene 425.86
    2-ethoxyethyl acetate 489.53
    2-ethylhexyl acetate 437.84
    1,2,4-trichlorobenzene 541.88
    4-methylpyridine 1642.98
    dibutyl ether 215.08
    2,6-dimethyl-4-heptanol 163.45
    DEF 1921.12
    dimethyl isosorbide 764.48
    tetrachloroethylene 983.8
    eugenol 343.32
    triacetin 373.86
    span 80 430.66
    1,4-butanediol 486.19
    1,1-dichloroethane 1862.27
    2-methyl-1-pentanol 722.33
    methyl formate 1367.75
    2-methyl-1-butanol 1586.7
    n-decane 11.6
    butyronitrile 1554.34
    3,7-dimethyl-1-octanol 246.56
    1-chlorooctane 93.34
    1-chlorotetradecane 36.34
    n-nonane 10.28
    undecane 9.3
    tert-butylcyclohexane 27.4
    cyclooctane 13.83
    cyclopentanol 1884.83
    tetrahydropyran 2492.41
    tert-amyl methyl ether 724.75
    2,5,8-trioxanonane 830.49
    1-hexene 218.14
    2-isopropoxyethanol 720.73
    2,2,2-trifluoroethanol 391.11
    methyl butyrate 918.33

    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

Botanical

Name CAS Botanical Proportion
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 0.01%