Hydroxyisolongifolaldehyde

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  • Identifiers

    CAS number
    83454-04-0

    Molecular formula
    C15H24O2

    SMILES
    CC1(CCCC2(C3C1C(C2C=O)CC3)C)CO

    Safety labels

  • Odor profile

    Fragrance
    Woody 62.36%
    Floral 50.82%
    Green 48.83%
    Fresh 41.26%
    Herbal 39.52%
    Aldehydic 35.04%
    Fruity 33.07%
    Amber 31.47%
    Balsamic 30.23%
    Muguet 29.87%

     

    Flavor
    Fruity 51.98%
    Sweet 41.42%
    Fruit 35.48%
    Herbal 34.73%
    Bitter 34.05%
    Spicy 33.09%
    Woody 31.19%
    Earthy 27.61%
    Minty 27.24%
    Herb 27.01%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.76 (neutral)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    350°C

    Flash point

    • 147.66 ˚C est.

  • Synonyms

    • Hydroxyisolongifolaldehyde
    • 1,4-Methanoazulene-9-carboxaldehyde, decahydro-8-(hydroxymethyl)-4,8-dimethyl-
    • 83454-04-0
    • RefChem:147194
    • 3-(hydroxymethyl)-3,7-dimethyltricyclo[5.4.0.02,9]undecane-8-carbaldehyde
    • DTXSID401003441
    • 8-(Hydroxymethyl)-4,8-dimethyldecahydro-1,4-methanoazulene-9-carbaldehyde
    • 83454-04-0

  • Applications

    Hydroxyisolongifolaldehyde is a specialized aldehyde/hydroxyl-containing compound that is typically used as an intermediate in fragrance chemistry, serving as an odorant component or building block for more complex aroma compounds. In cosmetics and personal care, it may be incorporated as a fragrance ingredient or intermediate in scent formulations. In industrial manufacturing, it can act as a chemical building block for aroma-related specialty compounds or as a precursor in the synthesis of related materials. In coatings and inks, it may be used as a fragrance additive or odor-balancing component in formulated products. It may also be evaluated as a precursor for more complex aroma materials in polymer or materials research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 633.53
    methanol 1214.44
    isopropanol 600.3
    water 13.11
    ethyl acetate 764.96
    n-propanol 578.26
    acetone 1402.82
    n-butanol 452.21
    acetonitrile 980.99
    DMF 1305.84
    toluene 493.01
    isobutanol 335.58
    1,4-dioxane 1411.79
    methyl acetate 661.92
    THF 3257.09
    2-butanone 765.09
    n-pentanol 104.51
    sec-butanol 201.81
    n-hexane 4.3
    ethylene glycol 224.96
    NMP 608.82
    cyclohexane 26.4
    DMSO 1128.93
    n-butyl acetate 279.79
    n-octanol 60.66
    chloroform 1706.86
    n-propyl acetate 221.7
    acetic acid 527.37
    dichloromethane 1597.52
    cyclohexanone 1054.96
    propylene glycol 156.42
    isopropyl acetate 463.1
    DMAc 368.9
    2-ethoxyethanol 298.15
    isopentanol 282.99
    n-heptane 6.95
    ethyl formate 687.86
    1,2-dichloroethane 1028.93
    n-hexanol 188.64
    2-methoxyethanol 1134.71
    isobutyl acetate 147.82
    tetrachloromethane 261.59
    n-pentyl acetate 171.57
    transcutol 647.39
    n-heptanol 88.59
    ethylbenzene 97.99
    MIBK 353.01
    2-propoxyethanol 512.16
    tert-butanol 428.77
    MTBE 246.3
    2-butoxyethanol 239.0
    propionic acid 381.96
    o-xylene 177.81
    formic acid 399.42
    diethyl ether 425.16
    m-xylene 275.95
    p-xylene 119.42
    chlorobenzene 579.19
    dimethyl carbonate 351.43
    n-octane 3.28
    formamide 681.14
    cyclopentanone 1938.46
    2-pentanone 688.13
    anisole 261.94
    cyclopentyl methyl ether 658.64
    gamma-butyrolactone 2134.61
    1-methoxy-2-propanol 715.92
    pyridine 1234.05
    3-pentanone 379.0
    furfural 1292.09
    n-dodecane 2.62
    diethylene glycol 443.39
    diisopropyl ether 91.1
    tert-amyl alcohol 150.53
    acetylacetone 811.68
    n-hexadecane 3.19
    acetophenone 231.98
    methyl propionate 595.59
    isopentyl acetate 247.89
    trichloroethylene 1756.01
    n-nonanol 53.32
    cyclohexanol 290.95
    benzyl alcohol 224.44
    2-ethylhexanol 82.33
    isooctanol 69.45
    dipropyl ether 106.35
    1,2-dichlorobenzene 434.82
    ethyl lactate 123.02
    propylene carbonate 756.96
    n-methylformamide 1286.36
    2-pentanol 173.36
    n-pentane 10.63
    1-propoxy-2-propanol 279.87
    1-methoxy-2-propyl acetate 397.83
    2-(2-methoxypropoxy) propanol 130.92
    mesitylene 133.74
    ε-caprolactone 716.04
    p-cymene 66.19
    epichlorohydrin 2099.57
    1,1,1-trichloroethane 803.36
    2-aminoethanol 334.82
    morpholine-4-carbaldehyde 758.87
    sulfolane 1250.13
    2,2,4-trimethylpentane 6.12
    2-methyltetrahydrofuran 995.56
    n-hexyl acetate 176.43
    isooctane 8.24
    2-(2-butoxyethoxy)ethanol 207.16
    sec-butyl acetate 142.24
    tert-butyl acetate 369.94
    decalin 10.16
    glycerin 295.86
    diglyme 504.77
    acrylic acid 392.6
    isopropyl myristate 53.81
    n-butyric acid 640.91
    acetyl acetate 472.93
    di(2-ethylhexyl) phthalate 71.94
    ethyl propionate 216.83
    nitromethane 1519.48
    1,2-diethoxyethane 210.25
    benzonitrile 497.28
    trioctyl phosphate 55.86
    1-bromopropane 374.48
    gamma-valerolactone 1857.21
    n-decanol 35.61
    triethyl phosphate 78.27
    4-methyl-2-pentanol 105.22
    propionitrile 743.92
    vinylene carbonate 825.44
    1,1,2-trichlorotrifluoroethane 639.73
    DMS 227.32
    cumene 59.43
    2-octanol 47.89
    2-hexanone 173.78
    octyl acetate 68.78
    limonene 77.46
    1,2-dimethoxyethane 530.31
    ethyl orthosilicate 70.37
    tributyl phosphate 63.22
    diacetone alcohol 347.71
    N,N-dimethylaniline 116.97
    acrylonitrile 1037.53
    aniline 504.23
    1,3-propanediol 586.9
    bromobenzene 588.98
    dibromomethane 912.63
    1,1,2,2-tetrachloroethane 962.98
    2-methyl-cyclohexyl acetate 123.22
    tetrabutyl urea 71.6
    diisobutyl methanol 62.66
    2-phenylethanol 258.95
    styrene 126.28
    dioctyl adipate 79.62
    dimethyl sulfate 428.43
    ethyl butyrate 183.76
    methyl lactate 262.12
    butyl lactate 138.47
    diethyl carbonate 122.21
    propanediol butyl ether 154.42
    triethyl orthoformate 113.03
    p-tert-butyltoluene 66.71
    methyl 4-tert-butylbenzoate 179.64
    morpholine 1357.13
    tert-butylamine 172.72
    n-dodecanol 24.85
    dimethoxymethane 1197.87
    ethylene carbonate 738.7
    cyrene 178.04
    2-ethoxyethyl acetate 292.13
    2-ethylhexyl acetate 157.42
    1,2,4-trichlorobenzene 449.88
    4-methylpyridine 913.97
    dibutyl ether 55.53
    2,6-dimethyl-4-heptanol 62.66
    DEF 413.52
    dimethyl isosorbide 319.46
    tetrachloroethylene 680.08
    eugenol 174.6
    triacetin 181.42
    span 80 118.71
    1,4-butanediol 103.89
    1,1-dichloroethane 968.52
    2-methyl-1-pentanol 81.3
    methyl formate 1157.08
    2-methyl-1-butanol 197.86
    n-decane 4.86
    butyronitrile 674.44
    3,7-dimethyl-1-octanol 62.34
    1-chlorooctane 37.89
    1-chlorotetradecane 11.87
    n-nonane 4.21
    undecane 3.45
    tert-butylcyclohexane 8.59
    cyclooctane 8.85
    cyclopentanol 483.2
    tetrahydropyran 1078.11
    tert-amyl methyl ether 114.68
    2,5,8-trioxanonane 243.64
    1-hexene 25.32
    2-isopropoxyethanol 164.42
    2,2,2-trifluoroethanol 327.48
    methyl butyrate 276.16

    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