Palustrol

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  • Identifiers

    CAS number
    5986-49-2

    Molecular formula
    C15H26O

    SMILES
    CC1CCC2(C1C3C(C3(C)C)CCC2C)O

    Retention indicies (RI)

    • DB5: 1573.0
    • Carbowax: 1925.2

  • Odor profile

    Herbal 67.93%
    Woody 66.3%
    Spicy 61.06%
    Earthy 57.97%
    Mint 54.19%
    Green 52.35%
    Fruity 50.02%
    Camphoreous 49.14%
    Fresh 44.89%
    Cooling 42.65%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    301°C

    Flash point est.
    92.37 ˚C

  • Synonyms

    • Palustrol
    • 5986-49-2
    • Diepi-palustrol
    • 1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[h]azulen-4a-ol
    • 4aH-Cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,4.beta.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]-
    • 4aH-Cycloprop(e)azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-, (1aR-(1aalpha,4beta,4abeta,7alpha,7abeta,7balpha))-
    • 4aH-Cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-
    • (1aR,4S,4aS,7R,7aS,7bR)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4a-ol
    • 4aH-Cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-, (1aR,4S,4aS,7R,7aS,7bR)-
    • Palustrol (Ledum)
    • 4aH-Cycloprop(e)azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-
    • (1aR,4S,4aS,7R,7aS,7bR)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa(e)azulen-4a-ol
    • 1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa(h)azulen-4a-ol
    • 4aH-Cycloprop(e)azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-, (1aR,4S,4aS,7R,7aS,7bR)-
    • (+)-palustrol
    • (1aS,4R,4aR,7S,7aR,7bS)-1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa(h)azulen-4a-ol
    • (1aS,4R,4aR,7S,7aR,7bS)-1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[h]azulen-4a-ol
    • SCHEMBL14034257
    • DTXSID20975261
    • FAA98649
    • AKOS028109719
    • DA-66468
    • NS00067892
    • Q67880165
    • 1,1,4,7-tetramethyl-octahydro-1aH-cyclopropa[e]azulen-4a-ol
    • 1,1,4,7-Tetramethyldecahydro-4ah-cyclopropa[e]azulen-4a-ol #

  • Applications

    Palustrol (CAS 5986-49-2) is a naturally occurring sesquiterpene alcohol found in the essential oils of Ledum palustre (Rhododendron tomentosum, Labrador tea) and various other aromatic plants; in practice it is used mainly as a fragrance ingredient in fine fragrances, personal care products and candles for its woody, herbal and long‑lasting character, as an analytical marker/reference standard in GC–MS for quantitation and quality control of essential oils, as a starting scaffold for semisynthetic derivatization and structure–activity studies of sesquiterpenes, and as a research target in preclinical in vitro/in vivo studies of antimicrobial, anti‑inflammatory, antioxidant and insect‑repellent properties as well as in formulation technologies (emulsions, microencapsulation, cyclodextrin inclusion) to improve solubility and volatility stability; it is also used in phytochemistry and chemical ecology as a chemotaxonomic marker to authenticate plant origin and to monitor chemotypic variation across geography, season and storage, with use aligned to prevailing safety and fragrance regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 264.04
    methanol 209.1
    isopropanol 319.74
    water 1.09
    ethyl acetate 251.3
    n-propanol 264.44
    acetone 402.13
    n-butanol 244.26
    acetonitrile 221.76
    DMF 423.8
    toluene 271.49
    isobutanol 226.1
    1,4-dioxane 602.5
    methyl acetate 250.57
    THF 1199.21
    2-butanone 346.11
    n-pentanol 143.81
    sec-butanol 208.19
    n-hexane 30.15
    ethylene glycol 60.92
    NMP 274.93
    cyclohexane 68.6
    DMSO 275.85
    n-butyl acetate 248.88
    n-octanol 146.28
    chloroform 662.15
    n-propyl acetate 169.16
    acetic acid 122.85
    dichloromethane 453.89
    cyclohexanone 470.95
    propylene glycol 101.16
    isopropyl acetate 245.67
    DMAc 288.11
    2-ethoxyethanol 209.01
    isopentanol 216.73
    n-heptane 40.62
    ethyl formate 179.64
    1,2-dichloroethane 291.69
    n-hexanol 244.23
    2-methoxyethanol 340.86
    isobutyl acetate 173.44
    tetrachloromethane 137.6
    n-pentyl acetate 203.59
    transcutol 354.53
    n-heptanol 156.33
    ethylbenzene 138.67
    MIBK 247.19
    2-propoxyethanol 372.03
    tert-butanol 312.62
    MTBE 331.04
    2-butoxyethanol 262.72
    propionic acid 143.81
    o-xylene 163.75
    formic acid 38.61
    diethyl ether 305.69
    m-xylene 199.36
    p-xylene 187.02
    chlorobenzene 240.39
    dimethyl carbonate 118.65
    n-octane 23.71
    formamide 70.48
    cyclopentanone 664.3
    2-pentanone 304.51
    anisole 225.06
    cyclopentyl methyl ether 353.38
    gamma-butyrolactone 553.61
    1-methoxy-2-propanol 316.82
    pyridine 425.41
    3-pentanone 214.88
    furfural 366.06
    n-dodecane 21.05
    diethylene glycol 235.82
    diisopropyl ether 126.37
    tert-amyl alcohol 202.92
    acetylacetone 332.96
    n-hexadecane 24.79
    acetophenone 199.68
    methyl propionate 210.79
    isopentyl acetate 275.36
    trichloroethylene 479.9
    n-nonanol 131.11
    cyclohexanol 216.78
    benzyl alcohol 172.81
    2-ethylhexanol 145.16
    isooctanol 134.74
    dipropyl ether 180.52
    1,2-dichlorobenzene 208.14
    ethyl lactate 114.13
    propylene carbonate 279.32
    n-methylformamide 177.32
    2-pentanol 176.73
    n-pentane 42.82
    1-propoxy-2-propanol 278.75
    1-methoxy-2-propyl acetate 292.61
    2-(2-methoxypropoxy) propanol 192.23
    mesitylene 139.32
    ε-caprolactone 339.51
    p-cymene 118.64
    epichlorohydrin 562.36
    1,1,1-trichloroethane 313.9
    2-aminoethanol 128.26
    morpholine-4-carbaldehyde 367.44
    sulfolane 465.96
    2,2,4-trimethylpentane 26.4
    2-methyltetrahydrofuran 520.36
    n-hexyl acetate 265.42
    isooctane 32.22
    2-(2-butoxyethoxy)ethanol 247.53
    sec-butyl acetate 150.85
    tert-butyl acetate 260.58
    decalin 39.22
    glycerin 117.77
    diglyme 437.17
    acrylic acid 118.5
    isopropyl myristate 125.86
    n-butyric acid 220.5
    acetyl acetate 178.07
    di(2-ethylhexyl) phthalate 116.56
    ethyl propionate 158.64
    nitromethane 234.76
    1,2-diethoxyethane 211.84
    benzonitrile 242.17
    trioctyl phosphate 99.13
    1-bromopropane 222.52
    gamma-valerolactone 645.24
    n-decanol 99.36
    triethyl phosphate 100.53
    4-methyl-2-pentanol 141.84
    propionitrile 257.36
    vinylene carbonate 262.68
    1,1,2-trichlorotrifluoroethane 285.06
    DMS 182.62
    cumene 109.25
    2-octanol 121.57
    2-hexanone 195.55
    octyl acetate 148.19
    limonene 134.21
    1,2-dimethoxyethane 390.83
    ethyl orthosilicate 97.15
    tributyl phosphate 96.9
    diacetone alcohol 246.29
    N,N-dimethylaniline 153.35
    acrylonitrile 251.46
    aniline 210.53
    1,3-propanediol 193.46
    bromobenzene 262.28
    dibromomethane 339.82
    1,1,2,2-tetrachloroethane 405.66
    2-methyl-cyclohexyl acetate 184.47
    tetrabutyl urea 120.59
    diisobutyl methanol 119.44
    2-phenylethanol 234.77
    styrene 148.39
    dioctyl adipate 139.99
    dimethyl sulfate 150.4
    ethyl butyrate 175.46
    methyl lactate 128.62
    butyl lactate 161.68
    diethyl carbonate 122.52
    propanediol butyl ether 200.78
    triethyl orthoformate 144.81
    p-tert-butyltoluene 121.38
    methyl 4-tert-butylbenzoate 215.6
    morpholine 537.65
    tert-butylamine 209.2
    n-dodecanol 78.54
    dimethoxymethane 387.32
    ethylene carbonate 237.05
    cyrene 180.06
    2-ethoxyethyl acetate 246.6
    2-ethylhexyl acetate 214.17
    1,2,4-trichlorobenzene 231.95
    4-methylpyridine 390.55
    dibutyl ether 146.08
    2,6-dimethyl-4-heptanol 119.44
    DEF 227.89
    dimethyl isosorbide 313.27
    tetrachloroethylene 283.27
    eugenol 193.0
    triacetin 209.74
    span 80 174.61
    1,4-butanediol 93.78
    1,1-dichloroethane 339.16
    2-methyl-1-pentanol 126.17
    methyl formate 162.6
    2-methyl-1-butanol 179.88
    n-decane 35.71
    butyronitrile 272.89
    3,7-dimethyl-1-octanol 138.2
    1-chlorooctane 107.4
    1-chlorotetradecane 46.24
    n-nonane 32.37
    undecane 26.79
    tert-butylcyclohexane 38.91
    cyclooctane 31.41
    cyclopentanol 274.14
    tetrahydropyran 546.25
    tert-amyl methyl ether 184.17
    2,5,8-trioxanonane 280.73
    1-hexene 89.16
    2-isopropoxyethanol 182.37
    2,2,2-trifluoroethanol 71.87
    methyl butyrate 194.16

    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

Botanical

Name CAS Botanical Proportion
Cedrela odorata Cedrela odorata L., fam. Meliaceae 0.09%
Eucalyptus cloeziana leaf (Chemotype 1) Eucalyptus cloeziana F. Muell., fam. Myrtaeceae 0.06%
Schinus molle 68917-52-2 Schinus molle L., fam. Anarcadiaceae 0.2%
Baccharis genistelloides Baccharis genistelloides Pers. (Carqueja), fam. Asteraceae (Compositae) 0.08%
Clove leaf (Indonesia) 1 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison, fam. Myrtaceae 0.01%
Tea Tree (Australia) 7 68647-73-4 Melaleuca alternifolia (Maiden et Betche) Cheel, fam. Myrtaceae 0.01%
Idiospermum australiense Idiospermum australiense (Diels) S.T. Blake, fam. Idiospermaceae 0.6%
Cassia, bark (China) 2 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Vassoura (Brazil) 2 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.01%
Pimento (Allspice) (Jamaica) 3 8006-77-7 Pimenta dioica (L.) Merr. (P. officinalis Lindl.), fam. Myrtaceae 0.28%
Eucalyptus globulus (Algeria) 1 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Salvia cryptantha (Turkey) Salvia cryptantha Montbret et Aucher ex Benth., fam. Lamiaceae (Labiatae) 0.3%
Elsholtzia incisa Elsholtzia incisa Benth, fam. Lamiaceae (Labiatae) 0.1%
Phoebe 1 Phoebe porosa Mez. (syn. Oreodaphne porosa Nees et Mart.), fam. Lauraceae 0.35%
Nepeta viscida (Turkey) Nepeta viscida Boiss., fam. Lamiaceae (Labiatae) 0.35%
Eugenia banderensis leaf (Cuba) Eugenia banderensis Urb., fam. Myrtaceae 1.02%
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.6%
Salvia syriaca (Turkey) Salvia syriaca L., fam. Lamiaceae (Labiatea) 0.11%
Uromyrtus australis (Australia) Uromyrtus australis A.J. Scott, fam. Myrtaceae 0.23%
Uromyrtus metrosideros (Australia) Uromyrtus metrosideros (F.M. Bailey) A.J. Scott, fam. Myrtaceae 0.07%
Sage, dalmatian (New Zealand) 1a 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.03%
Sage, dalmatian (New Zealand) 1b 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.15%
Leptospermum javanicum (Malaysia) Leptospermum javanicum Blume, fam. Myrtaceae 3.0%
Tea Tree (Australia) 9 68647-73-4 Melaleuca alternifolia (Maiden et Betche) Cheel, fam. Myrtaceae 0.06%
Helichrysum stoechas (Greece) 8023-85-8 Helichrysum stoechas (L.) M. ssp. barrelieri (Ten.) Nyman, fam. Asteraceae 0.79%
Eugenia ovalifolia leaf Eugenia ovalifolia Camb., fam. Myrtaceae 1.5%
Eucalyptus camaldulensis (Nigeria) 1 Eucalyptus camaldulensis Dehn., var. catharine, fam. Myrtaceae 0.01%
Manuka (Australia) 1b Leptospermum scoparium J.R. et F. Forst, var. eximium, fam. Myrtaceae 0.4%
Manuka (Australia) 1a Leptospermum scoparium J.R. et F. Forst, var. scoparium, fam. Myrtaceae 0.7%
Sage, dalmatian 10 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.15%
Cubeb 2 8007-87-2 Piper cubeba L., fam. Piperaceae 0.05%
Tea Tree (Hungary) 68647-73-4 Melaleuca alternifolia (Maiden et Betche) Cheel, fam. Myrtaceae 0.45%
Tea Tree (China) 68647-73-4 Melaleuca alternifolia (Maiden et Betche) Cheel, fam. Myrtaceae 2.19%
Cajuput (Australia) 1 8008-98-8 Melaleuca cajuputi Powell, var. cajuputi, fam. Myrtaceae 0.1%
Eucalyptus globulus (Spain) 2a old leaves 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.16%
Eucalyptus globulus (Spain) 2c mature fruits 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.16%
Eucalyptus globulus (Yugoslavia) 1b flower buds 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.07%
Eucalyptus globulus (Yugoslavia) 1c branches 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.09%
Eucalyptus globulus (China) 4 residue 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.9%
Guarea macrophylla ssp. tuberculata leaf Guarea macrophylla Vahl. ssp. tuberculata Vellozo, fam. Meliaceae 2.6%
Cinnamomum aureofulvum bark Cinnamomum aureofulvum Gamb., fam. Lauraceae 0.05%
Lepechinia salviaefolia (Venezuela) Lepechinia salviaefolia (Kunth) Epl., fam. Lamiaceae (Labiatae) 19.1%
Cassinia laevis flower Cassinia laevis R.Br., fam. Asteraceae (Compositae) 0.9%
Cassinia laevis leaf Cassinia laevis R.Br., fam. Asteraceae (Compositae) 0.6%
Laurel leaf (Turkey) 4 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.01%
Carrot umbel (Poland) 8015-88-1 Daucus carota L. ssp. carota, fam. Apiaceae (Umbelliferae) 0.02%
Solidago gigantea Solidago gigantea Ait., fam. Asteraceae (Compositae) 0.6%
Pentaceras australe leaf Pentaceras australe (F. Muell.) Benth., fam. Rutaceae 0.3%
Eucalyptus resinifera (Cuba) Eucalyptus resinifera Smith, fam. Myrtaceae 0.1%
Corymbia maculata (Cuba) Corymbia maculata (Hook.) K.D. Hill & L.A.S. Johnson, fam. Myrtaceae 0.01%