Lavandulol

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  • Identifiers

    CAS number
    498-16-8

    Molecular formula
    C10H18O

    SMILES
    CC(=CC[C@@H](CO)C(=C)C)C

    Retention indicies (RI)

    • DB5: 1168.5
    • Carbowax: 1678.8

  • Odor profile

    Floral 69.57%
    Herbal 66.3%
    Citrus 64.71%
    Rose 60.28%
    Sweet 52.81%
    Fresh 49.35%
    Fruity 47.63%
    Spicy 44.45%
    Woody 43.79%
    Lemon 42.47%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    210°C

    Flash point est.
    90.08 ˚C

  • Synonyms

    • (R)-Lavandulol
    • Lavandulol
    • (-)-Lavandulol
    • (R)-(-)-Lavandulol
    • 498-16-8
    • (-)-2-Isopropenyl-5-methyl-4-hexen-1-ol
    • (R)-5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol
    • 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (R)-
    • (2R)-5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol
    • UNII-T2QB7QHN63
    • T2QB7QHN63
    • 2-Isopropenyl-5-methyl-4-hexen-1-ol
    • 4-Hexen-1-ol, 2-isopropenyl-5-methyl-, (-)-
    • DTXSID001017547
    • (2R)-5-methyl-2-(1-methylethenyl)hex-4-en-1-ol
    • (R)-5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol
    • (2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol
    • 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (theta)-
    • 5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol
    • CHEBI:50281
    • 5-methyl-2-(1-methylethenyl)hex-4-en-1-ol
    • SCHEMBL1301946
    • CHEBI:50283
    • HY-N7731A
    • DTXCID101475734
    • LMPR0102010019
    • CS-1098908
    • NS00120909
    • Q56459843

  • Applications

    Lavandulol (CAS 498-16-8) is a natural monoterpene alcohol present in lavender oils, used primarily as a fragrance ingredient in fine fragrances, cosmetics, and personal- and home-care products to impart fresh floral–herbal, slightly woody and citrus nuances; it also serves as a key intermediate for synthesizing lavandulyl esters (notably lavandulyl acetate) that underpin classic lavender accords; it is applied at trace levels in flavor formulations where allowed to add a subtle herbal–floral accent, and in aromatherapy blends to create a relaxing ambience; in research and manufacturing, lavandulol functions as a GC–MS reference standard for essential-oil quality control, a versatile terpenoid building block, and a compound studied as a semiochemical cue in entomology; formulators account for its oxidation sensitivity (tight, light-protected storage and optional antioxidants) to preserve scent and stability.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 832.5
    methanol 325.21
    isopropanol 870.83
    water 0.92
    ethyl acetate 385.2
    n-propanol 703.79
    acetone 446.46
    n-butanol 763.12
    acetonitrile 412.51
    DMF 322.41
    toluene 136.87
    isobutanol 516.12
    1,4-dioxane 1006.64
    methyl acetate 314.1
    THF 1405.89
    2-butanone 407.74
    n-pentanol 387.95
    sec-butanol 703.33
    n-hexane 107.63
    ethylene glycol 74.51
    NMP 280.28
    cyclohexane 180.69
    DMSO 331.18
    n-butyl acetate 434.93
    n-octanol 261.0
    chloroform 874.88
    n-propyl acetate 230.54
    acetic acid 374.32
    dichloromethane 595.57
    cyclohexanone 541.28
    propylene glycol 223.89
    isopropyl acetate 214.39
    DMAc 240.48
    2-ethoxyethanol 327.87
    isopentanol 555.84
    n-heptane 157.32
    ethyl formate 243.5
    1,2-dichloroethane 314.62
    n-hexanol 680.33
    2-methoxyethanol 563.09
    isobutyl acetate 151.37
    tetrachloromethane 182.0
    n-pentyl acetate 199.17
    transcutol 973.34
    n-heptanol 293.97
    ethylbenzene 94.21
    MIBK 193.59
    2-propoxyethanol 559.27
    tert-butanol 1010.61
    MTBE 506.38
    2-butoxyethanol 331.65
    propionic acid 307.42
    o-xylene 103.01
    formic acid 67.58
    diethyl ether 497.06
    m-xylene 112.16
    p-xylene 132.19
    chlorobenzene 182.43
    dimethyl carbonate 66.4
    n-octane 40.58
    formamide 107.07
    cyclopentanone 563.44
    2-pentanone 346.1
    anisole 182.88
    cyclopentyl methyl ether 433.69
    gamma-butyrolactone 521.96
    1-methoxy-2-propanol 517.49
    pyridine 435.47
    3-pentanone 203.32
    furfural 378.35
    n-dodecane 26.21
    diethylene glycol 280.61
    diisopropyl ether 138.7
    tert-amyl alcohol 667.3
    acetylacetone 249.34
    n-hexadecane 28.59
    acetophenone 147.94
    methyl propionate 210.23
    isopentyl acetate 342.88
    trichloroethylene 580.92
    n-nonanol 217.83
    cyclohexanol 554.62
    benzyl alcohol 160.04
    2-ethylhexanol 367.71
    isooctanol 206.08
    dipropyl ether 424.62
    1,2-dichlorobenzene 154.07
    ethyl lactate 110.19
    propylene carbonate 329.26
    n-methylformamide 169.48
    2-pentanol 509.76
    n-pentane 122.61
    1-propoxy-2-propanol 501.87
    1-methoxy-2-propyl acetate 290.53
    2-(2-methoxypropoxy) propanol 268.6
    mesitylene 79.26
    ε-caprolactone 451.6
    p-cymene 113.8
    epichlorohydrin 597.64
    1,1,1-trichloroethane 427.31
    2-aminoethanol 241.24
    morpholine-4-carbaldehyde 401.17
    sulfolane 403.36
    2,2,4-trimethylpentane 57.18
    2-methyltetrahydrofuran 961.63
    n-hexyl acetate 293.32
    isooctane 52.69
    2-(2-butoxyethoxy)ethanol 394.35
    sec-butyl acetate 159.82
    tert-butyl acetate 225.78
    decalin 57.31
    glycerin 209.3
    diglyme 585.88
    acrylic acid 188.52
    isopropyl myristate 126.34
    n-butyric acid 601.26
    acetyl acetate 177.09
    di(2-ethylhexyl) phthalate 117.54
    ethyl propionate 180.73
    nitromethane 381.72
    1,2-diethoxyethane 370.36
    benzonitrile 217.88
    trioctyl phosphate 95.76
    1-bromopropane 328.55
    gamma-valerolactone 635.91
    n-decanol 156.39
    triethyl phosphate 112.39
    4-methyl-2-pentanol 247.89
    propionitrile 353.78
    vinylene carbonate 252.37
    1,1,2-trichlorotrifluoroethane 350.95
    DMS 127.15
    cumene 81.96
    2-octanol 183.82
    2-hexanone 252.35
    octyl acetate 155.29
    limonene 201.17
    1,2-dimethoxyethane 542.29
    ethyl orthosilicate 123.13
    tributyl phosphate 109.26
    diacetone alcohol 311.3
    N,N-dimethylaniline 125.46
    acrylonitrile 276.53
    aniline 228.45
    1,3-propanediol 418.19
    bromobenzene 174.66
    dibromomethane 489.93
    1,1,2,2-tetrachloroethane 503.44
    2-methyl-cyclohexyl acetate 221.87
    tetrabutyl urea 130.1
    diisobutyl methanol 205.89
    2-phenylethanol 210.04
    styrene 105.58
    dioctyl adipate 167.27
    dimethyl sulfate 85.69
    ethyl butyrate 275.52
    methyl lactate 119.99
    butyl lactate 174.02
    diethyl carbonate 162.44
    propanediol butyl ether 319.49
    triethyl orthoformate 205.41
    p-tert-butyltoluene 117.54
    methyl 4-tert-butylbenzoate 191.65
    morpholine 1182.93
    tert-butylamine 667.98
    n-dodecanol 121.43
    dimethoxymethane 248.04
    ethylene carbonate 241.41
    cyrene 194.82
    2-ethoxyethyl acetate 214.07
    2-ethylhexyl acetate 276.39
    1,2,4-trichlorobenzene 189.11
    4-methylpyridine 367.85
    dibutyl ether 268.54
    2,6-dimethyl-4-heptanol 205.89
    DEF 265.62
    dimethyl isosorbide 393.61
    tetrachloroethylene 304.7
    eugenol 175.25
    triacetin 203.47
    span 80 313.27
    1,4-butanediol 128.48
    1,1-dichloroethane 467.89
    2-methyl-1-pentanol 288.52
    methyl formate 117.33
    2-methyl-1-butanol 490.57
    n-decane 47.31
    butyronitrile 512.1
    3,7-dimethyl-1-octanol 237.38
    1-chlorooctane 135.45
    1-chlorotetradecane 57.5
    n-nonane 49.22
    undecane 33.53
    tert-butylcyclohexane 62.24
    cyclooctane 54.83
    cyclopentanol 537.36
    tetrahydropyran 1143.98
    tert-amyl methyl ether 317.03
    2,5,8-trioxanonane 395.64
    1-hexene 263.88
    2-isopropoxyethanol 247.42
    2,2,2-trifluoroethanol 94.14
    methyl butyrate 248.72

    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 (China) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.02%
Genet absolute 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.03%
Lavandin (France) 1 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia), fam. Lamiaceae (Labiatae) 0.55%
Lavender (Spain) (var. pyrenaica) Lavandula angustifolia Mill. ssp. pyrenaica, fam. Lamiaceae (Labiatae) 0.7%
Lavandula lanata (Spain) 1 Lavandula lanata Boiss., fam. Lamiaceae (Labiatae) 13.4%
Lavender (France) 3 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.72%
Lavender (France) 4 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 2.7%
Lavender (France) 5 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.7%
Lavender (Algeria) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.07%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Spike lavender (Spain) 2 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.6%
Lavandin (France) (Abrialis) 1 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.96%
Lavandin (France) (Super) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.87%
Lavandin (France) (Grosso) 1 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 1.5%
Lavandin (USA) 1a (Dutch) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Dutch cultivar), fam.Lamiaceae 1.24%
Lavandin (USA) 1b (Grappenhall) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Grappenhall cultivar),Lamiacea 1.19%
Lavandin (USA) 1d (Hidcote Giant) 8022-15-9 Lavandula x hydriba Rev. (L. x intermedia) (Hidcote Giant cultivar)Lamiace 0.7%
Lavandin (USA) 1e (Provence) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Provence cultivar), Lamiaceae 0.78%
Lavandin (USA) 1f (Seal) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Seal cultivar), fam. Lamiaceae 1.37%
Lavandin (USA) 1c (Grosso) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Grosso cultivar),fam.Lamiaceae 0.79%
Lavender (USA) (var. Loddon pink) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Loddon pink cultivar) 6.24%
Lavender (USA) (var. Jean Davis) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Jean Davis cultivar) 5.52%
Lavender (USA) (var. Rosea) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Rosea cultivar) 7.52%
Lavender (USA) (var. Hidcote) 8000-28-0 Lavandula angustigolia Mill. (L. officinalis Chaix) (Hidcote cultivar) 0.83%
Lavender (USA) (var. Mitcham Grey) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Mitcham Grey cult.) 1.04%
Lavender (USA) (var. Munstead) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Munstead cultivar) 3.41%
Lavender (USA) (var. Compacta) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Compacta cultivar) 0.03%
Lavender (USA) (var. Graves) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Graves cultivar) 2.32%
Lavender (USA) (var. Irene Doyle) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Irene Doyle cultivar) 0.89%
Lavender (USA) (var. Maillette) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Maillette cultivar) 0.06%
Lavender (USA) (var. Twickel Purple) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Twickel Purple cult.) 0.84%
Wormwood (Mugwort) (Germany) 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 0.5%
Lavender 2a hydrodiffusion 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 1.1%
Lavender 2b microwave 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.6%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 1.17%
Lavender 1c flower spike 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.39%
Lavender 1b corolla 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 6.88%
Lavender 1a calyx 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.44%
Lavandin (Italy) 1 (Grosso) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 1.5%
Artemisia roxburghiana (Himalaya) Artemisia roxburghiana Wall. ex Bies, var. hypolenca, fam. Asteraceae 0.01%
Rosemary (Morocco) 1 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.1%
Rosemary (France) 1 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.02%
Wormwood (Mugwort) (U.S.A.) 2 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 0.71%
Valerian, Living Flowers Valeriana officinalis L., fam. Valerianaceae 1.24%
Valerian, Picked Flowers Valeriana officinalis L., fam. Valerianaceae 0.57%
Valerian, Flower Valeriana officinalis L., fam. Valerianaceae 1.65%
Chamomile, german (Germany) 2, Living Flower 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 0.01%
Lavandin (France) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 0.84%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.55%
Spike lavender 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.5%