4-Hydroxy-3-isopropoxybenzaldehyde

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  • Identifiers

    CAS number
    71118-98-4

    Molecular formula
    C10H12O3

    SMILES
    CC(C)OC1=C(C=CC(=C1)C=O)O

  • Odor profile

    Fragrance
    Vanilla 70.94%
    Sweet 55.8%
    Phenolic 47.77%
    Creamy 45.05%
    Spicy 44.77%
    Smoky 37.07%
    Balsamic 36.88%
    Caramellic 36.09%
    Woody 32.71%
    Chocolate 32.18%

     

    Flavor
    Sweet 75.95%
    Vanilla 48.97%
    Woody 46.13%
    Spicy 43.83%
    Bitter 41.43%
    Powdery 37.35%
    Creamy 36.44%
    Clove 34.28%
    Spice 33.59%
    Floral 31.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.68 (weak base)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    290°C

    Flash point

    • 128.13 ˚C est.

  • Synonyms

    • 4-HYDROXY-3-ISOPROPOXYBENZALDEHYDE
    • 71118-98-4
    • 4-hydroxy-3-propan-2-yloxybenzaldehyde
    • 4-HYDROXY-3-(PROPAN-2-YLOXY)BENZALDEHYDE
    • SCHEMBL2555670
    • MUXFIYORPMXGNT-UHFFFAOYSA-N
    • MB22831
    • DB-184907

  • Applications

    4-Hydroxy-3-isopropoxybenzaldehyde (CAS 71118-98-4) is primarily used as a fragrance intermediate and building block in perfumery, where its phenolic hydroxy and isopropoxy substituents enable derivatization to yield specific aroma notes. It is commonly evaluated for cosmetics and personal care formulations as a fragrance ingredient or additive. In industrial manufacturing, it serves as an intermediate in the synthesis of more complex fragrance compounds and related specialty materials. In household products, including air fresheners and cleaners, it contributes as an odor-active component providing a lasting scent. It may also be employed in coatings and inks as a functional aromatic building block in fragrance-related formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 354.05
    methanol 649.87
    isopropanol 227.65
    water 0.8
    ethyl acetate 234.52
    n-propanol 178.92
    acetone 713.46
    n-butanol 148.03
    acetonitrile 365.25
    DMF 836.55
    toluene 53.07
    isobutanol 115.47
    1,4-dioxane 299.2
    methyl acetate 419.61
    THF 594.29
    2-butanone 401.61
    n-pentanol 102.97
    sec-butanol 147.17
    n-hexane 4.88
    ethylene glycol 103.92
    NMP 470.8
    cyclohexane 7.79
    DMSO 1300.36
    n-butyl acetate 237.86
    n-octanol 58.57
    chloroform 290.91
    n-propyl acetate 202.58
    acetic acid 258.6
    dichloromethane 480.82
    cyclohexanone 326.45
    propylene glycol 95.26
    isopropyl acetate 104.3
    DMAc 550.25
    2-ethoxyethanol 223.77
    isopentanol 116.05
    n-heptane 5.19
    ethyl formate 269.75
    1,2-dichloroethane 345.3
    n-hexanol 113.27
    2-methoxyethanol 370.13
    isobutyl acetate 92.31
    tetrachloromethane 29.95
    n-pentyl acetate 87.86
    transcutol 473.54
    n-heptanol 44.52
    ethylbenzene 52.49
    MIBK 108.79
    2-propoxyethanol 193.14
    tert-butanol 229.37
    MTBE 152.91
    2-butoxyethanol 98.68
    propionic acid 193.02
    o-xylene 53.29
    formic acid 127.73
    diethyl ether 138.16
    m-xylene 47.63
    p-xylene 70.43
    chlorobenzene 114.25
    dimethyl carbonate 110.37
    n-octane 3.13
    formamide 275.42
    cyclopentanone 559.22
    2-pentanone 246.13
    anisole 142.28
    cyclopentyl methyl ether 155.24
    gamma-butyrolactone 643.07
    1-methoxy-2-propanol 215.99
    pyridine 244.17
    3-pentanone 167.35
    furfural 450.04
    n-dodecane 3.6
    diethylene glycol 187.61
    diisopropyl ether 27.32
    tert-amyl alcohol 168.62
    acetylacetone 266.54
    n-hexadecane 4.13
    acetophenone 155.58
    methyl propionate 209.08
    isopentyl acetate 157.82
    trichloroethylene 535.67
    n-nonanol 48.12
    cyclohexanol 99.96
    benzyl alcohol 123.48
    2-ethylhexanol 67.47
    isooctanol 36.94
    dipropyl ether 66.37
    1,2-dichlorobenzene 110.89
    ethyl lactate 93.87
    propylene carbonate 307.21
    n-methylformamide 431.44
    2-pentanol 86.46
    n-pentane 4.06
    1-propoxy-2-propanol 138.05
    1-methoxy-2-propyl acetate 154.55
    2-(2-methoxypropoxy) propanol 117.33
    mesitylene 29.75
    ε-caprolactone 262.5
    p-cymene 36.46
    epichlorohydrin 547.02
    1,1,1-trichloroethane 174.89
    2-aminoethanol 129.68
    morpholine-4-carbaldehyde 368.46
    sulfolane 677.19
    2,2,4-trimethylpentane 5.35
    2-methyltetrahydrofuran 318.48
    n-hexyl acetate 129.46
    isooctane 3.53
    2-(2-butoxyethoxy)ethanol 150.77
    sec-butyl acetate 96.72
    tert-butyl acetate 109.37
    decalin 8.95
    glycerin 131.27
    diglyme 307.93
    acrylic acid 177.39
    isopropyl myristate 44.36
    n-butyric acid 187.96
    acetyl acetate 136.59
    di(2-ethylhexyl) phthalate 50.76
    ethyl propionate 142.17
    nitromethane 674.61
    1,2-diethoxyethane 145.45
    benzonitrile 168.02
    trioctyl phosphate 39.48
    1-bromopropane 122.15
    gamma-valerolactone 454.34
    n-decanol 37.02
    triethyl phosphate 66.95
    4-methyl-2-pentanol 46.2
    propionitrile 193.63
    vinylene carbonate 265.67
    1,1,2-trichlorotrifluoroethane 268.55
    DMS 136.64
    cumene 37.23
    2-octanol 34.71
    2-hexanone 187.97
    octyl acetate 62.1
    limonene 51.7
    1,2-dimethoxyethane 400.12
    ethyl orthosilicate 54.4
    tributyl phosphate 52.61
    diacetone alcohol 154.59
    N,N-dimethylaniline 91.68
    acrylonitrile 285.39
    aniline 105.1
    1,3-propanediol 178.21
    bromobenzene 105.91
    dibromomethane 255.5
    1,1,2,2-tetrachloroethane 343.52
    2-methyl-cyclohexyl acetate 95.1
    tetrabutyl urea 70.48
    diisobutyl methanol 37.03
    2-phenylethanol 108.48
    styrene 65.57
    dioctyl adipate 76.2
    dimethyl sulfate 206.85
    ethyl butyrate 139.46
    methyl lactate 109.48
    butyl lactate 83.33
    diethyl carbonate 105.6
    propanediol butyl ether 125.18
    triethyl orthoformate 77.94
    p-tert-butyltoluene 33.6
    methyl 4-tert-butylbenzoate 99.96
    morpholine 341.46
    tert-butylamine 98.11
    n-dodecanol 28.2
    dimethoxymethane 290.08
    ethylene carbonate 209.49
    cyrene 135.67
    2-ethoxyethyl acetate 130.3
    2-ethylhexyl acetate 118.93
    1,2,4-trichlorobenzene 141.76
    4-methylpyridine 246.38
    dibutyl ether 63.84
    2,6-dimethyl-4-heptanol 37.03
    DEF 241.05
    dimethyl isosorbide 184.64
    tetrachloroethylene 189.57
    eugenol 100.68
    triacetin 130.35
    span 80 81.61
    1,4-butanediol 82.93
    1,1-dichloroethane 260.35
    2-methyl-1-pentanol 90.41
    methyl formate 444.37
    2-methyl-1-butanol 107.33
    n-decane 5.64
    butyronitrile 191.94
    3,7-dimethyl-1-octanol 56.87
    1-chlorooctane 33.07
    1-chlorotetradecane 13.42
    n-nonane 5.15
    undecane 4.41
    tert-butylcyclohexane 8.15
    cyclooctane 2.89
    cyclopentanol 142.67
    tetrahydropyran 236.25
    tert-amyl methyl ether 101.15
    2,5,8-trioxanonane 185.37
    1-hexene 34.37
    2-isopropoxyethanol 138.38
    2,2,2-trifluoroethanol 105.59
    methyl butyrate 230.16

    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