Hotrienol

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  • Identifiers

    CAS number
    20053-88-7

    Molecular formula
    C10H16O

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

    Retention indicies (RI)

    • DB5: 1101.0
    • Carbowax: 1603.33

  • Odor profile

    Floral 82.73%
    Fresh 62.37%
    Citrus 60.78%
    Woody 58.35%
    Sweet 57.63%
    Fruity 56.73%
    Tropical 48.15%
    Green 42.83%
    Rose 41.61%
    Lavender 41.52%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    202°C

    Flash point est.
    80.45 ˚C

  • Synonyms

    • HOTRIENOL
    • 3,7-Dimethyl-1,5,7-octatrien-3-ol
    • 20053-88-7
    • 29957-43-5
    • (5E)-3,7-dimethylocta-1,5,7-trien-3-ol
    • 1,5,7-Octatrien-3-ol, 3,7-dimethyl-
    • 3,7-Dimethylocta-1,5,7-trien-3-ol
    • 53834-70-1
    • (E)-3,7-Dimethylocta-1,5,7-trien-3-ol
    • 178N3EI4PV
    • 3,7-dimethyl-1,5,7-octatriene-3-ol
    • EINECS 258-818-0
    • UNII-178N3EI4PV
    • EINECS 249-975-6
    • 3,7-Dimethyl-1,5,7-octatrien-3-ol (Hotrienol)
    • SCHEMBL272375
    • CHEBI:177384
    • DTXSID801019761
    • GLXC-14022
    • AKOS024264261
    • 2,6-dimethyl-1,3,7-octatrien-6-ol
    • 3,7-Dimethyl-octa-1,5,7-trien-3-ol
    • FS-10380
    • XH173392
    • (3S),7-Dimethylocta-1,5,7-trien-3-ol
    • DB-353537
    • NS00088365
    • Q27251885

  • Applications

    Hotrienol (CAS 20053-88-7) is a monoterpenoid alcohol with honeyed, linden-like floral, citrus peel, and light herbal facets, used broadly as a fragrance ingredient in fine perfumery, body sprays, personal care, and home care to add natural floral–citrus brightness and soften green notes; in foods and beverages it is incorporated into flavor formulations for tea, beer, wine (notably Muscat/Riesling styles), sake, carbonated drinks, and fruit-based products to reinforce “honey” nuance and top-note freshness, as well as in citrus, grape, lychee, and stone-fruit profiles; in R&D and quality control it serves as an analytical reference and matrix spike for GC-MS/GC-O, sensory panel training, detection-threshold studies, and monitoring aroma changes during fermentation, storage, or heat processing; in flavor technology it is microencapsulated/carrier-bound to improve volatility management and controlled release in acidic beverages or dry systems; additionally, because it occurs naturally in tea, grapes, citrus, and certain botanicals, hotrienol is useful as a marker for raw-material authentication and provenance; applications are typically at ppb–ppm levels due to high potency and synergy with linalool, geraniol, nerol, and citral, with attention to oxidation/isomerization control (cool, dark, inert storage) and compliance with local flavor and fragrance regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 932.34
    methanol 974.65
    isopropanol 603.04
    water 4.81
    ethyl acetate 324.51
    n-propanol 591.14
    acetone 252.57
    n-butanol 663.5
    acetonitrile 213.7
    DMF 281.19
    toluene 114.57
    isobutanol 353.52
    1,4-dioxane 770.6
    methyl acetate 246.48
    THF 922.45
    2-butanone 291.55
    n-pentanol 445.6
    sec-butanol 512.38
    n-hexane 124.11
    ethylene glycol 121.78
    NMP 270.64
    cyclohexane 123.78
    DMSO 227.53
    n-butyl acetate 303.89
    n-octanol 296.32
    chloroform 392.55
    n-propyl acetate 193.95
    acetic acid 349.09
    dichloromethane 259.2
    cyclohexanone 330.23
    propylene glycol 249.17
    isopropyl acetate 217.39
    DMAc 361.13
    2-ethoxyethanol 472.85
    isopentanol 476.77
    n-heptane 139.86
    ethyl formate 170.34
    1,2-dichloroethane 142.18
    n-hexanol 686.49
    2-methoxyethanol 746.55
    isobutyl acetate 150.93
    tetrachloromethane 80.02
    n-pentyl acetate 181.96
    transcutol 1276.22
    n-heptanol 291.8
    ethylbenzene 79.17
    MIBK 191.31
    2-propoxyethanol 679.62
    tert-butanol 642.88
    MTBE 489.43
    2-butoxyethanol 374.47
    propionic acid 254.83
    o-xylene 88.77
    formic acid 147.25
    diethyl ether 528.04
    m-xylene 92.86
    p-xylene 99.61
    chlorobenzene 101.08
    dimethyl carbonate 73.44
    n-octane 38.25
    formamide 146.84
    cyclopentanone 281.55
    2-pentanone 285.08
    anisole 190.35
    cyclopentyl methyl ether 383.61
    gamma-butyrolactone 262.05
    1-methoxy-2-propanol 537.63
    pyridine 248.81
    3-pentanone 186.8
    furfural 236.51
    n-dodecane 29.03
    diethylene glycol 398.54
    diisopropyl ether 161.88
    tert-amyl alcohol 566.84
    acetylacetone 188.81
    n-hexadecane 30.76
    acetophenone 141.14
    methyl propionate 208.13
    isopentyl acetate 279.29
    trichloroethylene 230.82
    n-nonanol 259.46
    cyclohexanol 378.58
    benzyl alcohol 152.66
    2-ethylhexanol 366.15
    isooctanol 207.92
    dipropyl ether 377.17
    1,2-dichlorobenzene 89.84
    ethyl lactate 118.59
    propylene carbonate 178.8
    n-methylformamide 173.96
    2-pentanol 428.03
    n-pentane 127.78
    1-propoxy-2-propanol 502.22
    1-methoxy-2-propyl acetate 285.18
    2-(2-methoxypropoxy) propanol 327.41
    mesitylene 68.14
    ε-caprolactone 326.81
    p-cymene 84.9
    epichlorohydrin 313.89
    1,1,1-trichloroethane 163.12
    2-aminoethanol 317.09
    morpholine-4-carbaldehyde 472.83
    sulfolane 224.02
    2,2,4-trimethylpentane 58.74
    2-methyltetrahydrofuran 637.49
    n-hexyl acetate 317.09
    isooctane 45.09
    2-(2-butoxyethoxy)ethanol 473.21
    sec-butyl acetate 164.74
    tert-butyl acetate 248.14
    decalin 54.57
    glycerin 272.73
    diglyme 662.72
    acrylic acid 158.51
    isopropyl myristate 128.27
    n-butyric acid 438.04
    acetyl acetate 156.99
    di(2-ethylhexyl) phthalate 120.95
    ethyl propionate 173.45
    nitromethane 245.11
    1,2-diethoxyethane 433.77
    benzonitrile 140.33
    trioctyl phosphate 90.32
    1-bromopropane 194.74
    gamma-valerolactone 435.62
    n-decanol 187.28
    triethyl phosphate 110.1
    4-methyl-2-pentanol 249.4
    propionitrile 227.1
    vinylene carbonate 154.36
    1,1,2-trichlorotrifluoroethane 241.08
    DMS 137.4
    cumene 66.66
    2-octanol 182.15
    2-hexanone 222.92
    octyl acetate 167.67
    limonene 149.53
    1,2-dimethoxyethane 641.68
    ethyl orthosilicate 126.32
    tributyl phosphate 109.15
    diacetone alcohol 288.76
    N,N-dimethylaniline 140.67
    acrylonitrile 166.54
    aniline 179.73
    1,3-propanediol 462.58
    bromobenzene 85.8
    dibromomethane 204.23
    1,1,2,2-tetrachloroethane 229.25
    2-methyl-cyclohexyl acetate 205.77
    tetrabutyl urea 140.34
    diisobutyl methanol 178.88
    2-phenylethanol 215.03
    styrene 87.23
    dioctyl adipate 164.09
    dimethyl sulfate 78.23
    ethyl butyrate 228.85
    methyl lactate 139.05
    butyl lactate 161.0
    diethyl carbonate 143.89
    propanediol butyl ether 342.53
    triethyl orthoformate 200.49
    p-tert-butyltoluene 88.56
    methyl 4-tert-butylbenzoate 179.72
    morpholine 917.94
    tert-butylamine 462.57
    n-dodecanol 143.22
    dimethoxymethane 314.18
    ethylene carbonate 153.42
    cyrene 198.14
    2-ethoxyethyl acetate 218.96
    2-ethylhexyl acetate 233.58
    1,2,4-trichlorobenzene 112.04
    4-methylpyridine 257.76
    dibutyl ether 290.24
    2,6-dimethyl-4-heptanol 178.88
    DEF 295.46
    dimethyl isosorbide 409.18
    tetrachloroethylene 159.38
    eugenol 180.01
    triacetin 216.43
    span 80 326.26
    1,4-butanediol 174.47
    1,1-dichloroethane 179.89
    2-methyl-1-pentanol 348.15
    methyl formate 104.62
    2-methyl-1-butanol 408.84
    n-decane 53.5
    butyronitrile 310.74
    3,7-dimethyl-1-octanol 265.6
    1-chlorooctane 131.91
    1-chlorotetradecane 57.35
    n-nonane 53.55
    undecane 37.46
    tert-butylcyclohexane 60.53
    cyclooctane 51.18
    cyclopentanol 309.43
    tetrahydropyran 727.88
    tert-amyl methyl ether 382.8
    2,5,8-trioxanonane 456.64
    1-hexene 263.18
    2-isopropoxyethanol 326.59
    2,2,2-trifluoroethanol 81.83
    methyl butyrate 214.35

    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
Bergamot (Italy) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (Italy) 3 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Osmanthus absolute 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.02%
Wormwood Roman, headspace Artemisia pontica L., fam. Asteraceae (Compositae) 0.05%
Wormwood Roman Artemisia pontica L., fam. Asteraceae (Compositae) 1.6%
Ziziphora tenuior (Turkey) Ziziphora tenuior L.(Z.acutifolia Montbret & Aucher ex Bentham), Lamiaceae 2.34%
Clary sage flower 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.01%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.01%
Wartara (India) 1 pericarp Zanthoxylum armatum DC. (Z. alatum Roxb.), fam. Rutaceae 0.12%
Artemisia roxburghiana (Himalaya) Artemisia roxburghiana Wall. ex Bies, var. hypolenca, fam. Asteraceae 0.01%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.01%
Dendrobium beckleri flower headspace Dendrobium beckleri Sw., fam. Orchidaceae 0.05%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.2%
Bois-de-Rose (Brazil) 1c 8015-77-8 Aniba rosaeodora var. amazonica Ducke, fam. Lauraceae 0.13%
Bois-de-Rose (Brazil) 1b 8015-77-8 Abina rosaeodora var. amazonica Ducke, fam. Laureaceae 0.15%
Bois-de-Rose (Brazil) 1a 8015-77-8 Aniba rosaeodora var. amazonica Ducke, fam. Lauraceae 0.47%
Ho leaf 2 8022-91-1 Cinnamomum camphora Sieb. linaloolifera Fujita, fam. Lauraceae 0.33%
Laurel leaf (Turkey) 4 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.1%
Myrtle leaf (Turkey) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.25%
Wartara (India) 3 seed Zanthoxylum armatum DC. (Z. alatum Roxb.), fam Rutaceae 0.9%
Zataria multiflora (Iran) 1a bud Zataria multiflora Boiss., fam. Lamiaceae (Labiatae) 1.24%
Zataria multiflora (Iran) 1b flower Zataria multiflora Boiss., fam. Lamiaceae (Labiatae) 2.56%
Zataria multiflora (Iran) 2 flowering tops Zataria multiflora Boiss., fam. Lamiaceae (Labiatae) 0.44%
Argyranthemum adauctum ssp. adauctum Argyranthemum adauctum ssp.adauctum Humphries, fam.Asteraceae (Compositae) 0.9%