Hydroxydavanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    942627-72-7

    Molecular formula
    C15H24O3

    SMILES
    CC(C1CCC(O1)(C)C=C)C(=O)/C=C/C(C)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 65.31%
    Woody 59.74%
    Sweet 45.32%
    Fresh 36.46%
    Fruity 36.2%
    Berry 28.32%
    Mint 28.02%
    Dry 26.8%
    Citrus 25.64%
    Herbal 24.73%

     

    Flavor
    Floral 33.75%
    Fruity 31.54%
    Tropical 26.7%
    Berry 24.57%
    Minty 23.15%
    Herbal 20.65%
    Ocimene 19.91%
    Mouldy 19.7%
    Bitter 19.6%
    Flower 19.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.57 (weak base)

    Molecular weight
    252.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    334°C

    Flash point

    • 138.4 ˚C est.

  • Synonyms

    • HYDROXYDAVANONE
    • 942627-72-7
    • 73395-08-1
    • cis-Hydroxydavanone
    • NSC362428
    • WQUKMIHCFQFPQG-VQHVLOKHSA-N
    • (E)-2-(5-ethenyl-5-methyloxolan-2-yl)-6-hydroxy-6-methylhept-4-en-3-one
    • NSC-362428
    • XL170621
    • 8(17)13-Labdadien-15-ol - Pinus halepensis (Aleppo pine)
    • (S,E)-6-Hydroxy-6-methyl-2-((2S,5R)-5-methyl-5-vinyltetrahydrofuran-2-yl)hept-4-en-3-one
    • 73395-08-1

  • Applications

    Hydroxydavanone (CAS 942627-72-7) is primarily used as an intermediate in the synthesis of fragrance and flavor compounds, leveraging its hydroxy-davanone scaffold for functionalization to access aroma-related materials. It may also serve as a solvent or co-solvent in specialty chemical formulations and can act as a processing aid or stabilizer in polymer, coatings, and ink systems. In cosmetics and personal care, it is evaluated as a fragrance ingredient or fragrance stabilizer in limited formulations, subject to regulatory constraints. The compound can also be employed as a chemical building block in pharmaceutical or agrochemical R&D for intermediate synthesis, and may appear in cleaning formulations as a minor solvent component. Use is highly dependent on purity, formulation type, and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 484.59
    methanol 549.3
    isopropanol 454.67
    water 2.01
    ethyl acetate 336.13
    n-propanol 383.28
    acetone 298.46
    n-butanol 341.22
    acetonitrile 210.05
    DMF 535.62
    toluene 205.24
    isobutanol 295.66
    1,4-dioxane 542.33
    methyl acetate 326.8
    THF 726.15
    2-butanone 342.35
    n-pentanol 266.56
    sec-butanol 375.12
    n-hexane 25.25
    ethylene glycol 90.75
    NMP 378.75
    cyclohexane 37.98
    DMSO 470.19
    n-butyl acetate 234.61
    n-octanol 148.72
    chloroform 1033.05
    n-propyl acetate 216.8
    acetic acid 288.22
    dichloromethane 662.2
    cyclohexanone 357.03
    propylene glycol 214.18
    isopropyl acetate 253.86
    DMAc 780.83
    2-ethoxyethanol 392.58
    isopentanol 323.9
    n-heptane 14.68
    ethyl formate 198.83
    1,2-dichloroethane 321.72
    n-hexanol 294.14
    2-methoxyethanol 540.61
    isobutyl acetate 191.81
    tetrachloromethane 117.56
    n-pentyl acetate 154.72
    transcutol 1008.2
    n-heptanol 130.99
    ethylbenzene 134.56
    MIBK 213.33
    2-propoxyethanol 491.49
    tert-butanol 466.71
    MTBE 363.82
    2-butoxyethanol 259.91
    propionic acid 254.28
    o-xylene 131.06
    formic acid 154.95
    diethyl ether 256.64
    m-xylene 143.55
    p-xylene 188.8
    chlorobenzene 216.72
    dimethyl carbonate 148.04
    n-octane 8.31
    formamide 181.76
    cyclopentanone 336.49
    2-pentanone 254.46
    anisole 281.35
    cyclopentyl methyl ether 266.13
    gamma-butyrolactone 382.3
    1-methoxy-2-propanol 466.23
    pyridine 345.04
    3-pentanone 204.16
    furfural 396.46
    n-dodecane 9.63
    diethylene glycol 367.44
    diisopropyl ether 92.08
    tert-amyl alcohol 382.33
    acetylacetone 305.81
    n-hexadecane 11.04
    acetophenone 251.89
    methyl propionate 259.11
    isopentyl acetate 249.2
    trichloroethylene 671.98
    n-nonanol 134.23
    cyclohexanol 257.41
    benzyl alcohol 228.58
    2-ethylhexanol 154.39
    isooctanol 105.81
    dipropyl ether 120.56
    1,2-dichlorobenzene 213.73
    ethyl lactate 149.25
    propylene carbonate 295.89
    n-methylformamide 242.78
    2-pentanol 238.85
    n-pentane 22.84
    1-propoxy-2-propanol 317.82
    1-methoxy-2-propyl acetate 299.24
    2-(2-methoxypropoxy) propanol 284.48
    mesitylene 89.9
    ε-caprolactone 370.11
    p-cymene 71.84
    epichlorohydrin 485.36
    1,1,1-trichloroethane 372.07
    2-aminoethanol 225.91
    morpholine-4-carbaldehyde 557.42
    sulfolane 386.34
    2,2,4-trimethylpentane 21.7
    2-methyltetrahydrofuran 435.33
    n-hexyl acetate 258.86
    isooctane 15.2
    2-(2-butoxyethoxy)ethanol 373.46
    sec-butyl acetate 192.3
    tert-butyl acetate 242.02
    decalin 30.74
    glycerin 240.87
    diglyme 576.18
    acrylic acid 192.57
    isopropyl myristate 102.48
    n-butyric acid 323.9
    acetyl acetate 222.77
    di(2-ethylhexyl) phthalate 117.03
    ethyl propionate 188.87
    nitromethane 355.38
    1,2-diethoxyethane 270.71
    benzonitrile 232.93
    trioctyl phosphate 78.42
    1-bromopropane 242.21
    gamma-valerolactone 543.04
    n-decanol 95.34
    triethyl phosphate 104.88
    4-methyl-2-pentanol 170.22
    propionitrile 206.55
    vinylene carbonate 285.3
    1,1,2-trichlorotrifluoroethane 442.82
    DMS 213.55
    cumene 102.74
    2-octanol 92.98
    2-hexanone 218.53
    octyl acetate 128.19
    limonene 94.31
    1,2-dimethoxyethane 562.31
    ethyl orthosilicate 103.42
    tributyl phosphate 105.21
    diacetone alcohol 298.56
    N,N-dimethylaniline 204.82
    acrylonitrile 225.74
    aniline 248.52
    1,3-propanediol 310.01
    bromobenzene 216.84
    dibromomethane 429.69
    1,1,2,2-tetrachloroethane 635.16
    2-methyl-cyclohexyl acetate 175.06
    tetrabutyl urea 128.92
    diisobutyl methanol 88.48
    2-phenylethanol 236.57
    styrene 160.24
    dioctyl adipate 147.27
    dimethyl sulfate 211.34
    ethyl butyrate 168.8
    methyl lactate 183.12
    butyl lactate 166.83
    diethyl carbonate 136.85
    propanediol butyl ether 297.79
    triethyl orthoformate 136.35
    p-tert-butyltoluene 68.62
    methyl 4-tert-butylbenzoate 198.16
    morpholine 623.08
    tert-butylamine 275.17
    n-dodecanol 70.05
    dimethoxymethane 374.14
    ethylene carbonate 249.14
    cyrene 247.22
    2-ethoxyethyl acetate 234.41
    2-ethylhexyl acetate 195.79
    1,2,4-trichlorobenzene 259.6
    4-methylpyridine 411.99
    dibutyl ether 133.22
    2,6-dimethyl-4-heptanol 88.48
    DEF 302.23
    dimethyl isosorbide 389.96
    tetrachloroethylene 354.51
    eugenol 210.32
    triacetin 276.12
    span 80 221.07
    1,4-butanediol 149.44
    1,1-dichloroethane 406.17
    2-methyl-1-pentanol 253.54
    methyl formate 178.38
    2-methyl-1-butanol 293.17
    n-decane 16.78
    butyronitrile 231.57
    3,7-dimethyl-1-octanol 158.03
    1-chlorooctane 81.44
    1-chlorotetradecane 32.07
    n-nonane 14.14
    undecane 12.28
    tert-butylcyclohexane 30.23
    cyclooctane 13.95
    cyclopentanol 225.24
    tetrahydropyran 431.57
    tert-amyl methyl ether 260.53
    2,5,8-trioxanonane 405.81
    1-hexene 107.07
    2-isopropoxyethanol 296.82
    2,2,2-trifluoroethanol 126.63
    methyl butyrate 247.07

    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