Hedycaryol

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  • Identifiers

    CAS number
    21657-90-9

    Molecular formula
    C15H26O

    SMILES
    C/C/1=C/CC/C(=C\C[C@H](CC1)C(C)(C)O)/C

  • Odor profile

    Woody 71.38%
    Citrus 65.43%
    Herbal 64.3%
    Lemon 56.95%
    Floral 56.5%
    Spicy 51.09%
    Terpenic 50.08%
    Sweet 47.97%
    Fresh 47.52%
    Pine 42.84%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point est.
    117.75 ˚C

  • Synonyms

    • Hedycaryol
    • 2-[(1S,3Z,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
    • 3,7-Cyclodecadiene-1-methanol, .alpha.,.alpha.,4,8-tetramethyl-, [s-(Z,Z)]
    • CHEBI:157729
    • 21657-90-9
    • 2-(4,8-Dimethyl-3,7-cyclodecadien-1-yl)-2-propanol #
    • 3,7-Cyclodecadiene-1-methanol, alpha,alpha,4,8-tetramethyl-, (s-(Z,Z))

  • Applications

    Hedycaryol (CAS 21657-90-9) is a natural sesquiterpenoid alcohol present in various plant essential oils; in practice, its main applications include use as an analytical reference in GC–MS/GC–FID and as a chemotaxonomic marker for essential‑oil fingerprinting; as an intermediate/feedstock for organic synthesis and for probing terpene biosynthesis, because it readily cyclizes/rearranges under acidic conditions into diverse sesquiterpene skeletons (eudesmane, guaiane, cadinane, elemane, etc.); as a potential fragrance ingredient imparting woody‑herbal nuances to perfumes and personal‑care products, though commercial use remains limited and regulation‑dependent; and as a target of preclinical studies on bioactivities (antimicrobial, anti‑inflammatory, antioxidant) rather than an approved drug, also serving in studies of terpene stability/rearrangements and in assessing odor impact, safety, and allergenicity of natural materials.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 488.67
    methanol 343.32
    isopropanol 414.44
    water 0.39
    ethyl acetate 414.24
    n-propanol 376.21
    acetone 326.04
    n-butanol 436.91
    acetonitrile 210.06
    DMF 233.47
    toluene 324.08
    isobutanol 266.61
    1,4-dioxane 947.27
    methyl acetate 297.7
    THF 1344.95
    2-butanone 386.56
    n-pentanol 280.83
    sec-butanol 326.53
    n-hexane 137.33
    ethylene glycol 29.63
    NMP 237.42
    cyclohexane 229.44
    DMSO 228.6
    n-butyl acetate 459.73
    n-octanol 261.68
    chloroform 776.34
    n-propyl acetate 252.51
    acetic acid 160.22
    dichloromethane 520.22
    cyclohexanone 449.33
    propylene glycol 92.99
    isopropyl acetate 310.33
    DMAc 295.63
    2-ethoxyethanol 274.36
    isopentanol 369.19
    n-heptane 165.67
    ethyl formate 166.89
    1,2-dichloroethane 286.13
    n-hexanol 518.84
    2-methoxyethanol 425.27
    isobutyl acetate 210.4
    tetrachloromethane 136.5
    n-pentyl acetate 266.76
    transcutol 1391.4
    n-heptanol 257.28
    ethylbenzene 177.6
    MIBK 255.99
    2-propoxyethanol 548.15
    tert-butanol 508.96
    MTBE 569.09
    2-butoxyethanol 363.59
    propionic acid 155.44
    o-xylene 184.26
    formic acid 35.85
    diethyl ether 632.38
    m-xylene 229.11
    p-xylene 219.52
    chlorobenzene 247.87
    dimethyl carbonate 79.63
    n-octane 51.79
    formamide 61.26
    cyclopentanone 416.3
    2-pentanone 362.19
    anisole 293.08
    cyclopentyl methyl ether 496.41
    gamma-butyrolactone 345.89
    1-methoxy-2-propanol 418.32
    pyridine 462.34
    3-pentanone 240.43
    furfural 300.27
    n-dodecane 35.86
    diethylene glycol 234.4
    diisopropyl ether 226.55
    tert-amyl alcohol 367.17
    acetylacetone 277.01
    n-hexadecane 40.78
    acetophenone 214.67
    methyl propionate 234.1
    isopentyl acetate 420.45
    trichloroethylene 470.02
    n-nonanol 240.87
    cyclohexanol 329.57
    benzyl alcohol 186.2
    2-ethylhexanol 326.96
    isooctanol 206.1
    dipropyl ether 513.96
    1,2-dichlorobenzene 208.17
    ethyl lactate 108.78
    propylene carbonate 252.42
    n-methylformamide 102.17
    2-pentanol 299.31
    n-pentane 132.81
    1-propoxy-2-propanol 492.14
    1-methoxy-2-propyl acetate 425.05
    2-(2-methoxypropoxy) propanol 369.47
    mesitylene 153.53
    ε-caprolactone 387.95
    p-cymene 162.24
    epichlorohydrin 465.09
    1,1,1-trichloroethane 354.77
    2-aminoethanol 107.36
    morpholine-4-carbaldehyde 418.03
    sulfolane 296.0
    2,2,4-trimethylpentane 59.78
    2-methyltetrahydrofuran 835.4
    n-hexyl acetate 406.53
    isooctane 54.97
    2-(2-butoxyethoxy)ethanol 510.39
    sec-butyl acetate 218.18
    tert-butyl acetate 343.19
    decalin 86.15
    glycerin 108.01
    diglyme 780.79
    acrylic acid 93.47
    isopropyl myristate 186.61
    n-butyric acid 328.46
    acetyl acetate 220.5
    di(2-ethylhexyl) phthalate 166.12
    ethyl propionate 210.44
    nitromethane 197.59
    1,2-diethoxyethane 622.17
    benzonitrile 240.86
    trioctyl phosphate 121.49
    1-bromopropane 336.83
    gamma-valerolactone 540.45
    n-decanol 179.46
    triethyl phosphate 141.1
    4-methyl-2-pentanol 211.63
    propionitrile 258.49
    vinylene carbonate 207.85
    1,1,2-trichlorotrifluoroethane 233.95
    DMS 202.24
    cumene 130.55
    2-octanol 174.32
    2-hexanone 267.71
    octyl acetate 224.51
    limonene 238.1
    1,2-dimethoxyethane 583.28
    ethyl orthosilicate 155.99
    tributyl phosphate 139.19
    diacetone alcohol 313.53
    N,N-dimethylaniline 197.62
    acrylonitrile 185.11
    aniline 275.15
    1,3-propanediol 215.02
    bromobenzene 280.05
    dibromomethane 404.38
    1,1,2,2-tetrachloroethane 429.18
    2-methyl-cyclohexyl acetate 279.1
    tetrabutyl urea 167.32
    diisobutyl methanol 201.68
    2-phenylethanol 273.62
    styrene 201.88
    dioctyl adipate 228.82
    dimethyl sulfate 90.22
    ethyl butyrate 315.7
    methyl lactate 105.71
    butyl lactate 198.78
    diethyl carbonate 191.57
    propanediol butyl ether 309.7
    triethyl orthoformate 257.57
    p-tert-butyltoluene 175.14
    methyl 4-tert-butylbenzoate 253.41
    morpholine 980.22
    tert-butylamine 401.32
    n-dodecanol 139.36
    dimethoxymethane 333.67
    ethylene carbonate 196.41
    cyrene 210.47
    2-ethoxyethyl acetate 332.16
    2-ethylhexyl acetate 349.35
    1,2,4-trichlorobenzene 238.77
    4-methylpyridine 448.22
    dibutyl ether 375.35
    2,6-dimethyl-4-heptanol 201.68
    DEF 282.99
    dimethyl isosorbide 530.27
    tetrachloroethylene 270.52
    eugenol 224.0
    triacetin 299.42
    span 80 363.4
    1,4-butanediol 72.18
    1,1-dichloroethane 340.93
    2-methyl-1-pentanol 251.72
    methyl formate 71.98
    2-methyl-1-butanol 292.22
    n-decane 67.9
    butyronitrile 357.9
    3,7-dimethyl-1-octanol 265.49
    1-chlorooctane 177.79
    1-chlorotetradecane 75.67
    n-nonane 69.05
    undecane 46.91
    tert-butylcyclohexane 86.23
    cyclooctane 89.4
    cyclopentanol 273.03
    tetrahydropyran 1059.88
    tert-amyl methyl ether 355.08
    2,5,8-trioxanonane 538.32
    1-hexene 308.04
    2-isopropoxyethanol 229.04
    2,2,2-trifluoroethanol 40.6
    methyl butyrate 250.08

    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

Botanical

Name CAS Botanical Proportion
Hyssop flower 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 1.8%
Hyssop leaf 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 5.8%
Hyssop stem 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 13.2%
Hyssop (Finland) 1 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 5.15%
Hyssop (Finland) 2 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 3.25%
Hyssop (Finland) 3 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 5.95%
Hyssop (Finland) 4 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 3.25%
Citronella ceylon (Zimbabwe) Cymbopogon nardus (L.) Rendle, fam. Poaceae (Gramineae) 3.44%
Osage orange fruit, 1a headspace Maclura pomifera (Raf.) Schneid, fam. Moraceae 0.5%
Osage orange fruit, 1b steamdistilled Maclura pomifera (Raf.) Schneid, fam. Moraceae 0.3%