2-Heptyl-3,6-dihydroxy-5-(3-methyl-2-buten-1-yl)benzaldehyde

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  • Identifiers

    CAS number
    523-73-9

    Molecular formula
    C19H28O3

    SMILES
    CCCCCCCC1=C(C=C(C(=C1C=O)O)CC=C(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Spicy 46.96%
    Fruity 35.29%
    Phenolic 31.2%
    Woody 30.69%
    Floral 25.72%
    Dry 25.67%
    Balsamic 25.55%
    Herbal 25.33%
    Odorless 24.25%
    Sweet 23.4%

     

    Flavor
    Bitter 48.96%
    Herbal 41.93%
    Woody 35.19%
    Spicy 31.58%
    Spice 24.15%
    Mild 22.23%
    Warm 21.48%
    Lovage 21.05%
    Parsley 20.55%
    Thymol 20.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.7

    pKa est.
    10.15 (weak base)

    Molecular weight
    304.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    518°C

    Flash point

    • 191.85 ˚C est.

  • Synonyms

    • Flavoglaucin
    • 523-73-9
    • 6-Heptyl-3-(3-methyl-2-butenyl)gentisaldehyde
    • 2-heptyl-3,6-dihydroxy-5-(3-methylbut-2-enyl)benzaldehyde
    • 7TTH54XZQ5
    • DTXSID60200327
    • 2-Heptyl-3,6-dihydroxy-5-(3-methyl-2-buten-1-yl)benzaldehyde
    • RefChem:909853
    • DTXCID60122818
    • CCRIS 6491
    • 2-Heptyl-3,6-dihydroxy-5-(3-methyl-2-butenyl)benzaldehyde
    • orb1682564
    • CHEMBL1813664
    • SCHEMBL30431735
    • CHEBI:68188
    • 2-heptyl-3,6-dihydroxy-5-(3-methylbut-2-en-1-yl)benzaldehyde
    • AAA52373
    • AKOS040761739
    • BS-1106
    • CS-0142619
    • Q27136682
    • Benzaldehyde, 2-heptyl-3,6-dihydroxy-5-(3-methyl-2-butenyl)-
    • Benzaldehyde, 2-heptyl-3,6-dihydroxy-5-(3-methyl-2-buten-1-yl)-
    • NCGC00381406-01!2-heptyl-3,6-dihydroxy-5-(3-methylbut-2-enyl)benzaldehyde
    • 523-73-9

  • Applications

    2-Heptyl-3,6-dihydroxy-5-(3-methyl-2-buten-1-yl)benzaldehyde (CAS 523-73-9) is primarily regarded as an intermediate and fragrance-building block in perfumery, with typical applications including: serving as an aroma component in perfumes and fragrance formulations; acting as a precursor for the synthesis of aroma compounds in flavor and aroma chemistry; used in cosmetics and personal care as a fragrance ingredient; employed in household products such as cleaners and air fresheners as a scent additive; used in coatings, inks, and polymers as a building block for aromatic derivatives; and as an industrial manufacturing intermediate for broader chemical synthesis; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1243.01
    methanol 1133.17
    isopropanol 674.93
    water 0.04
    ethyl acetate 1465.65
    n-propanol 1217.26
    acetone 1496.07
    n-butanol 785.29
    acetonitrile 511.61
    DMF 3013.43
    toluene 320.66
    isobutanol 605.64
    1,4-dioxane 561.34
    methyl acetate 1076.0
    THF 1484.39
    2-butanone 1536.19
    n-pentanol 314.28
    sec-butanol 643.27
    n-hexane 6.93
    ethylene glycol 56.45
    NMP 1272.04
    cyclohexane 16.41
    DMSO 1721.46
    n-butyl acetate 558.49
    n-octanol 67.0
    chloroform 1093.24
    n-propyl acetate 488.55
    acetic acid 496.54
    dichloromethane 1232.46
    cyclohexanone 1283.34
    propylene glycol 179.04
    isopropyl acetate 726.58
    DMAc 2080.81
    2-ethoxyethanol 540.13
    isopentanol 516.42
    n-heptane 2.91
    ethyl formate 353.99
    1,2-dichloroethane 1344.52
    n-hexanol 295.32
    2-methoxyethanol 1238.42
    isobutyl acetate 280.65
    tetrachloromethane 88.77
    n-pentyl acetate 272.97
    transcutol 1414.55
    n-heptanol 100.38
    ethylbenzene 117.18
    MIBK 533.47
    2-propoxyethanol 691.39
    tert-butanol 642.17
    MTBE 738.98
    2-butoxyethanol 294.5
    propionic acid 519.15
    o-xylene 156.39
    formic acid 117.08
    diethyl ether 760.75
    m-xylene 165.65
    p-xylene 133.03
    chlorobenzene 446.73
    dimethyl carbonate 444.96
    n-octane 2.35
    formamide 359.63
    cyclopentanone 1635.2
    2-pentanone 1249.54
    anisole 336.98
    cyclopentyl methyl ether 680.19
    gamma-butyrolactone 1399.67
    1-methoxy-2-propanol 965.35
    pyridine 924.46
    3-pentanone 869.21
    furfural 729.47
    n-dodecane 2.23
    diethylene glycol 342.98
    diisopropyl ether 131.18
    tert-amyl alcohol 518.58
    acetylacetone 1058.63
    n-hexadecane 2.69
    acetophenone 324.88
    methyl propionate 1301.22
    isopentyl acetate 490.67
    trichloroethylene 2042.02
    n-nonanol 68.86
    cyclohexanol 418.55
    benzyl alcohol 283.92
    2-ethylhexanol 131.78
    isooctanol 87.33
    dipropyl ether 146.89
    1,2-dichlorobenzene 350.09
    ethyl lactate 182.88
    propylene carbonate 590.63
    n-methylformamide 989.78
    2-pentanol 400.59
    n-pentane 7.66
    1-propoxy-2-propanol 402.65
    1-methoxy-2-propyl acetate 596.17
    2-(2-methoxypropoxy) propanol 235.83
    mesitylene 80.42
    ε-caprolactone 959.29
    p-cymene 51.21
    epichlorohydrin 1832.41
    1,1,1-trichloroethane 778.13
    2-aminoethanol 283.19
    morpholine-4-carbaldehyde 1005.1
    sulfolane 1452.36
    2,2,4-trimethylpentane 10.19
    2-methyltetrahydrofuran 1114.97
    n-hexyl acetate 293.4
    isooctane 7.47
    2-(2-butoxyethoxy)ethanol 378.41
    sec-butyl acetate 356.54
    tert-butyl acetate 711.97
    decalin 12.49
    glycerin 198.31
    diglyme 771.77
    acrylic acid 325.24
    isopropyl myristate 86.17
    n-butyric acid 827.0
    acetyl acetate 488.63
    di(2-ethylhexyl) phthalate 89.54
    ethyl propionate 445.09
    nitromethane 1174.35
    1,2-diethoxyethane 472.92
    benzonitrile 308.45
    trioctyl phosphate 64.19
    1-bromopropane 555.14
    gamma-valerolactone 1640.13
    n-decanol 47.2
    triethyl phosphate 109.26
    4-methyl-2-pentanol 187.56
    propionitrile 610.26
    vinylene carbonate 468.08
    1,1,2-trichlorotrifluoroethane 889.36
    DMS 315.11
    cumene 66.58
    2-octanol 64.54
    2-hexanone 431.31
    octyl acetate 115.65
    limonene 81.44
    1,2-dimethoxyethane 744.85
    ethyl orthosilicate 105.48
    tributyl phosphate 88.29
    diacetone alcohol 694.1
    N,N-dimethylaniline 170.22
    acrylonitrile 723.92
    aniline 519.86
    1,3-propanediol 489.44
    bromobenzene 419.82
    dibromomethane 720.02
    1,1,2,2-tetrachloroethane 1507.14
    2-methyl-cyclohexyl acetate 193.89
    tetrabutyl urea 113.44
    diisobutyl methanol 71.07
    2-phenylethanol 255.44
    styrene 166.56
    dioctyl adipate 136.03
    dimethyl sulfate 568.17
    ethyl butyrate 275.67
    methyl lactate 358.88
    butyl lactate 207.21
    diethyl carbonate 166.99
    propanediol butyl ether 214.84
    triethyl orthoformate 157.66
    p-tert-butyltoluene 53.7
    methyl 4-tert-butylbenzoate 216.19
    morpholine 1280.0
    tert-butylamine 274.29
    n-dodecanol 33.86
    dimethoxymethane 1408.59
    ethylene carbonate 422.36
    cyrene 240.49
    2-ethoxyethyl acetate 463.54
    2-ethylhexyl acetate 325.24
    1,2,4-trichlorobenzene 424.79
    4-methylpyridine 984.21
    dibutyl ether 103.81
    2,6-dimethyl-4-heptanol 71.07
    DEF 1284.11
    dimethyl isosorbide 442.22
    tetrachloroethylene 718.46
    eugenol 217.44
    triacetin 254.27
    span 80 173.77
    1,4-butanediol 115.87
    1,1-dichloroethane 1054.05
    2-methyl-1-pentanol 278.04
    methyl formate 502.0
    2-methyl-1-butanol 554.95
    n-decane 3.84
    butyronitrile 524.66
    3,7-dimethyl-1-octanol 97.74
    1-chlorooctane 43.02
    1-chlorotetradecane 13.75
    n-nonane 3.19
    undecane 2.83
    tert-butylcyclohexane 11.66
    cyclooctane 4.0
    cyclopentanol 466.28
    tetrahydropyran 1024.05
    tert-amyl methyl ether 456.72
    2,5,8-trioxanonane 420.56
    1-hexene 75.71
    2-isopropoxyethanol 366.16
    2,2,2-trifluoroethanol 137.23
    methyl butyrate 555.89

    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