Irisresorcinol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    52483-21-3

    Molecular formula
    C23H38O2

    SMILES
    CCCCCC/C=C/CCCCCCCCCC1=CC(=CC(=C1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 58.98%
    Fatty 45.78%
    Oily 36.28%
    Odorless 28.25%
    Balsamic 25.11%
    Spicy 24.63%
    Meaty 22.58%
    Animal 21.97%
    Savory 21.52%
    Burnt 21.21%

     

    Flavor
    Waxy 26.65%
    Mild 24.88%
    Bland 24.49%
    Faint 23.54%
    Slightly waxy 21.6%
    Delicate 20.94%
    Diterpene 20.45%
    Low 20.08%
    Terpentine 19.61%
    Oriental 19.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.2

    pKa est.
    9.09 (weak base)

    Molecular weight
    346.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    458°C

    Melting point expt.

    • 35 - 36 °C

    Flash point

    • 213.84 ˚C est.

  • Synonyms

    • Irisresorcinol
    • 5-[(E)-heptadec-10-enyl]benzene-1,3-diol
    • 52483-21-3
    • 5-(10Z)-10-Heptadecen-1-yl-1,3-benzenediol
    • 5-(10-Heptadecenyl)resorcinol
    • SCHEMBL29801766
    • 5-(10-Heptadecenyl)-1,3-benzenediol, 9CI
    • 52483-21-3

  • Applications

    Irisresorcinol (CAS 52483-21-3) is typically used as a fragrance-related intermediate and odorant in perfumery, often serving as a building block for iris-inspired fragrance compounds and as a potential fixative. In cosmetics and personal care, it may be used as a scent ingredient, while in household products it can be employed to impart floral notes in cleaners and air fresheners. In industrial manufacturing, it is valued as an intermediate for the synthesis of fragrance compounds and related specialty chemicals, with formulation and regulatory considerations varying by region.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2105.25
    methanol 1061.03
    isopropanol 1722.67
    water 0.04
    ethyl acetate 1248.79
    n-propanol 1666.92
    acetone 3653.37
    n-butanol 1306.75
    acetonitrile 419.41
    DMF 1802.24
    toluene 283.34
    isobutanol 1076.95
    1,4-dioxane 1702.1
    methyl acetate 803.94
    THF 5826.93
    2-butanone 1814.68
    n-pentanol 632.52
    sec-butanol 1146.17
    n-hexane 107.46
    ethylene glycol 36.22
    NMP 1326.79
    cyclohexane 378.81
    DMSO 3738.46
    n-butyl acetate 861.99
    n-octanol 224.91
    chloroform 1171.16
    n-propyl acetate 891.09
    acetic acid 546.56
    dichloromethane 1342.9
    cyclohexanone 2245.95
    propylene glycol 173.04
    isopropyl acetate 937.09
    DMAc 1508.79
    2-ethoxyethanol 848.38
    isopentanol 992.33
    n-heptane 80.84
    ethyl formate 501.61
    1,2-dichloroethane 1555.35
    n-hexanol 474.02
    2-methoxyethanol 1567.95
    isobutyl acetate 624.17
    tetrachloromethane 315.85
    n-pentyl acetate 696.29
    transcutol 2491.68
    n-heptanol 252.82
    ethylbenzene 144.27
    MIBK 968.73
    2-propoxyethanol 875.02
    tert-butanol 1682.42
    MTBE 1916.6
    2-butoxyethanol 583.0
    propionic acid 514.37
    o-xylene 174.79
    formic acid 75.0
    diethyl ether 1936.94
    m-xylene 188.09
    p-xylene 186.12
    chlorobenzene 380.09
    dimethyl carbonate 258.07
    n-octane 34.24
    formamide 204.78
    cyclopentanone 2750.27
    2-pentanone 1771.67
    anisole 369.25
    cyclopentyl methyl ether 1626.75
    gamma-butyrolactone 1861.72
    1-methoxy-2-propanol 1356.55
    pyridine 943.78
    3-pentanone 926.14
    furfural 758.36
    n-dodecane 19.78
    diethylene glycol 311.17
    diisopropyl ether 418.51
    tert-amyl alcohol 1099.77
    acetylacetone 1405.05
    n-hexadecane 23.87
    acetophenone 354.46
    methyl propionate 853.44
    isopentyl acetate 805.44
    trichloroethylene 1604.63
    n-nonanol 219.78
    cyclohexanol 961.46
    benzyl alcohol 262.57
    2-ethylhexanol 297.1
    isooctanol 266.4
    dipropyl ether 814.72
    1,2-dichlorobenzene 322.31
    ethyl lactate 260.49
    propylene carbonate 775.8
    n-methylformamide 630.87
    2-pentanol 773.88
    n-pentane 118.21
    1-propoxy-2-propanol 771.85
    1-methoxy-2-propyl acetate 786.05
    2-(2-methoxypropoxy) propanol 397.67
    mesitylene 138.67
    ε-caprolactone 1429.62
    p-cymene 106.27
    epichlorohydrin 2293.16
    1,1,1-trichloroethane 1257.42
    2-aminoethanol 247.93
    morpholine-4-carbaldehyde 1041.11
    sulfolane 2494.76
    2,2,4-trimethylpentane 63.4
    2-methyltetrahydrofuran 2901.73
    n-hexyl acetate 689.46
    isooctane 49.71
    2-(2-butoxyethoxy)ethanol 690.18
    sec-butyl acetate 592.24
    tert-butyl acetate 1075.87
    decalin 74.7
    glycerin 169.34
    diglyme 1401.69
    acrylic acid 225.97
    isopropyl myristate 241.07
    n-butyric acid 1276.53
    acetyl acetate 499.94
    di(2-ethylhexyl) phthalate 149.63
    ethyl propionate 597.55
    nitromethane 1084.94
    1,2-diethoxyethane 1176.74
    benzonitrile 284.68
    trioctyl phosphate 139.7
    1-bromopropane 1062.38
    gamma-valerolactone 2397.12
    n-decanol 143.52
    triethyl phosphate 211.9
    4-methyl-2-pentanol 388.73
    propionitrile 464.39
    vinylene carbonate 471.08
    1,1,2-trichlorotrifluoroethane 947.38
    DMS 354.96
    cumene 103.97
    2-octanol 208.57
    2-hexanone 937.6
    octyl acetate 295.14
    limonene 235.66
    1,2-dimethoxyethane 1655.22
    ethyl orthosilicate 240.69
    tributyl phosphate 181.93
    diacetone alcohol 1066.75
    N,N-dimethylaniline 228.46
    acrylonitrile 350.05
    aniline 388.32
    1,3-propanediol 630.47
    bromobenzene 382.91
    dibromomethane 979.35
    1,1,2,2-tetrachloroethane 1598.28
    2-methyl-cyclohexyl acetate 421.2
    tetrabutyl urea 258.95
    diisobutyl methanol 213.94
    2-phenylethanol 256.97
    styrene 179.15
    dioctyl adipate 333.86
    dimethyl sulfate 494.2
    ethyl butyrate 628.83
    methyl lactate 321.87
    butyl lactate 438.13
    diethyl carbonate 297.95
    propanediol butyl ether 448.49
    triethyl orthoformate 434.99
    p-tert-butyltoluene 111.52
    methyl 4-tert-butylbenzoate 390.5
    morpholine 2712.61
    tert-butylamine 967.94
    n-dodecanol 103.82
    dimethoxymethane 1647.83
    ethylene carbonate 541.98
    cyrene 340.3
    2-ethoxyethyl acetate 775.84
    2-ethylhexyl acetate 558.0
    1,2,4-trichlorobenzene 392.61
    4-methylpyridine 790.51
    dibutyl ether 610.7
    2,6-dimethyl-4-heptanol 213.94
    DEF 1140.85
    dimethyl isosorbide 745.35
    tetrachloroethylene 917.38
    eugenol 295.96
    triacetin 529.74
    span 80 353.15
    1,4-butanediol 148.13
    1,1-dichloroethane 1338.1
    2-methyl-1-pentanol 500.27
    methyl formate 361.8
    2-methyl-1-butanol 837.97
    n-decane 43.84
    butyronitrile 786.75
    3,7-dimethyl-1-octanol 267.59
    1-chlorooctane 208.63
    1-chlorotetradecane 63.48
    n-nonane 44.58
    undecane 27.72
    tert-butylcyclohexane 66.94
    cyclooctane 70.85
    cyclopentanol 1135.55
    tetrahydropyran 3568.78
    tert-amyl methyl ether 935.71
    2,5,8-trioxanonane 749.91
    1-hexene 367.78
    2-isopropoxyethanol 642.38
    2,2,2-trifluoroethanol 136.68
    methyl butyrate 889.89

    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