Lavandulyl acetate, (+/-)-

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  • Identifiers

    CAS number
    25905-14-0

    Molecular formula
    C12H20O2

    SMILES
    CC(=CCC(COC(=O)C)C(=C)C)C

    Retention indicies (RI)

    • DB5: 1289.0
    • Carbowax: 1604.0

  • Odor profile

    Fruity 87.07%
    Sweet 69.74%
    Herbal 64.58%
    Floral 59.78%
    Citrus 58.91%
    Rose 54.09%
    Spicy 49.67%
    Woody 45.8%
    Fresh 45.62%
    Bergamot 42.97%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    232°C

    Flash point est.
    93.52 ˚C

  • Synonyms

    • Lavandulyl acetate
    • 25905-14-0
    • (+/-)-Lavandulyl acetate
    • acetic acid lavandulyl ester
    • (R)-Lavandulyl acetate
    • OU6ZF37MOM
    • EINECS 244-026-2
    • (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate
    • (-)-Lavandulyl acetate
    • 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, 1-acetate
    • 4-HEXEN-1-OL, 5-METHYL-2-(1-METHYLETHENYL)-, ACETATE
    • (+/-)-Lavandulol acetate
    • 2-Isopropenyl-5-methylhex-4-enyl acetate
    • 2-Isopropenyl-5-methyl-4-hexen-1-yl acetate
    • 3-Acetoxymethyl-2,6-dimethyl-1,5-heptadiene
    • 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate, (2R)-
    • DTXSID30904865
    • ( inverted exclamation markA)-Lavandulyl acetate
    • LAVANDULYL ACETATE, (+/-)-
    • 5-METHYL-2-(PROP-1-EN-2-YL)HEX-4-EN-1-YL ACETATE
    • 4-Hexen-1-ol, 2-isopropenyl-5-methyl-, acetate
    • 5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol acetate
    • (-)-(R)-Lavandulyl acetate
    • UNII-OU6ZF37MOM
    • (+-)-Lavandulol acetate
    • (+-)-Lavandulyl acetate
    • (R)-2-Isopropenyl-5-methylhex-4-enyl acetate
    • EINECS 247-327-7
    • MFCD16652611
    • 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate, (R)-
    • (??)-Lavandulyl Acetate
    • SCHEMBL132576
    • 5-Methyl-2-(1-propen-2-yl)-4-hexen-1-yl Acetate
    • ACETICACIDLAVANDULYLESTER
    • (+/-)-2-Isopropenyl-5-methyl-4-hexen-1-yl acetate
    • DTXCID1030494
    • (R)-Lavandulyl acetate; (-)-Lavandulyl acetate; (-)-(R)-Lavandulyl acetate;
    • AKOS032957243
    • HY-117419A
    • FL161233
    • SY319471
    • DB-253441
    • CS-0253678
    • NS00012786
    • E80382
    • Q16948466
    • 5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol 1-acetate
    • (+/-)-2-Isopropenyl-5-methyl-4-hexen-1-yl acetate;(+/-)-Lavandulol acetate
    • 247-327-7

  • Applications

    Lavandulyl acetate, racemic (+/−) (CAS 25905-14-0), is a monoterpene ester with a soft herbal–lavender odor, used primarily in the fragrance industry to build and reinforce lavender, herbal and citrus accords in fine fragrances, personal care (shampoos, body washes, creams) and home care (cleaners, fabric softeners, air care, candles), enhancing naturalness, diffusion and depth when blended with linalool, linalyl acetate, terpineol and citral; it is also employed as a synthetic intermediate and terpene building block in fragrance R&D, as a reference/marker for GC–MS authentication and quantitation of lavender oils, occasionally at trace levels in flavor compositions with lavender/herbal nuances where regulations permit, and is studied for odor modulation, malodor masking and sensory effects across cosmetic and household matrices.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1300.69
    methanol 947.92
    isopropanol 1322.65
    water 1.92
    ethyl acetate 709.6
    n-propanol 888.97
    acetone 906.68
    n-butanol 868.71
    acetonitrile 623.35
    DMF 998.31
    toluene 341.88
    isobutanol 715.76
    1,4-dioxane 1797.54
    methyl acetate 635.6
    THF 1884.21
    2-butanone 678.35
    n-pentanol 614.15
    sec-butanol 1043.31
    n-hexane 116.2
    ethylene glycol 164.38
    NMP 742.88
    cyclohexane 170.33
    DMSO 649.09
    n-butyl acetate 499.64
    n-octanol 405.06
    chloroform 1890.71
    n-propyl acetate 402.36
    acetic acid 662.84
    dichloromethane 1276.1
    cyclohexanone 885.23
    propylene glycol 546.18
    isopropyl acetate 469.62
    DMAc 863.03
    2-ethoxyethanol 687.61
    isopentanol 747.77
    n-heptane 77.46
    ethyl formate 389.87
    1,2-dichloroethane 627.17
    n-hexanol 723.07
    2-methoxyethanol 1104.41
    isobutyl acetate 286.82
    tetrachloromethane 244.18
    n-pentyl acetate 314.92
    transcutol 1979.31
    n-heptanol 339.96
    ethylbenzene 249.17
    MIBK 376.0
    2-propoxyethanol 873.85
    tert-butanol 1674.37
    MTBE 913.03
    2-butoxyethanol 501.75
    propionic acid 555.52
    o-xylene 256.96
    formic acid 181.32
    diethyl ether 581.13
    m-xylene 286.57
    p-xylene 358.92
    chlorobenzene 390.1
    dimethyl carbonate 186.04
    n-octane 37.56
    formamide 277.5
    cyclopentanone 908.49
    2-pentanone 548.49
    anisole 511.59
    cyclopentyl methyl ether 686.92
    gamma-butyrolactone 906.32
    1-methoxy-2-propanol 1079.62
    pyridine 747.59
    3-pentanone 344.5
    furfural 792.9
    n-dodecane 35.17
    diethylene glycol 542.23
    diisopropyl ether 208.79
    tert-amyl alcohol 1211.95
    acetylacetone 609.82
    n-hexadecane 39.26
    acetophenone 386.81
    methyl propionate 445.0
    isopentyl acetate 474.75
    trichloroethylene 1253.32
    n-nonanol 348.6
    cyclohexanol 837.09
    benzyl alcohol 423.26
    2-ethylhexanol 414.15
    isooctanol 274.9
    dipropyl ether 340.81
    1,2-dichlorobenzene 340.26
    ethyl lactate 241.36
    propylene carbonate 603.08
    n-methylformamide 387.5
    2-pentanol 669.43
    n-pentane 94.35
    1-propoxy-2-propanol 666.46
    1-methoxy-2-propyl acetate 523.74
    2-(2-methoxypropoxy) propanol 572.28
    mesitylene 179.65
    ε-caprolactone 796.39
    p-cymene 168.0
    epichlorohydrin 1073.91
    1,1,1-trichloroethane 860.04
    2-aminoethanol 487.79
    morpholine-4-carbaldehyde 1051.59
    sulfolane 801.7
    2,2,4-trimethylpentane 69.61
    2-methyltetrahydrofuran 1345.03
    n-hexyl acetate 543.41
    isooctane 52.15
    2-(2-butoxyethoxy)ethanol 776.21
    sec-butyl acetate 308.9
    tert-butyl acetate 516.25
    decalin 93.02
    glycerin 480.75
    diglyme 1073.77
    acrylic acid 371.87
    isopropyl myristate 243.13
    n-butyric acid 827.86
    acetyl acetate 426.95
    di(2-ethylhexyl) phthalate 237.91
    ethyl propionate 337.23
    nitromethane 775.18
    1,2-diethoxyethane 618.91
    benzonitrile 452.88
    trioctyl phosphate 171.31
    1-bromopropane 458.08
    gamma-valerolactone 1262.46
    n-decanol 262.63
    triethyl phosphate 196.03
    4-methyl-2-pentanol 385.51
    propionitrile 467.75
    vinylene carbonate 523.16
    1,1,2-trichlorotrifluoroethane 811.6
    DMS 346.36
    cumene 188.49
    2-octanol 274.55
    2-hexanone 440.92
    octyl acetate 312.96
    limonene 273.91
    1,2-dimethoxyethane 994.65
    ethyl orthosilicate 193.59
    tributyl phosphate 208.46
    diacetone alcohol 663.33
    N,N-dimethylaniline 345.32
    acrylonitrile 453.44
    aniline 503.49
    1,3-propanediol 672.94
    bromobenzene 390.52
    dibromomethane 841.31
    1,1,2,2-tetrachloroethane 1190.2
    2-methyl-cyclohexyl acetate 371.17
    tetrabutyl urea 245.11
    diisobutyl methanol 229.08
    2-phenylethanol 427.69
    styrene 287.6
    dioctyl adipate 351.59
    dimethyl sulfate 249.09
    ethyl butyrate 373.36
    methyl lactate 299.04
    butyl lactate 293.35
    diethyl carbonate 276.87
    propanediol butyl ether 643.7
    triethyl orthoformate 279.72
    p-tert-butyltoluene 173.95
    methyl 4-tert-butylbenzoate 427.95
    morpholine 2031.14
    tert-butylamine 1014.37
    n-dodecanol 203.38
    dimethoxymethane 604.47
    ethylene carbonate 440.41
    cyrene 446.66
    2-ethoxyethyl acetate 424.29
    2-ethylhexyl acetate 371.26
    1,2,4-trichlorobenzene 453.08
    4-methylpyridine 857.34
    dibutyl ether 388.91
    2,6-dimethyl-4-heptanol 229.08
    DEF 520.53
    dimethyl isosorbide 814.76
    tetrachloroethylene 613.15
    eugenol 397.16
    triacetin 500.23
    span 80 587.98
    1,4-butanediol 289.3
    1,1-dichloroethane 914.83
    2-methyl-1-pentanol 529.28
    methyl formate 277.5
    2-methyl-1-butanol 659.62
    n-decane 58.13
    butyronitrile 591.84
    3,7-dimethyl-1-octanol 392.25
    1-chlorooctane 211.64
    1-chlorotetradecane 91.2
    n-nonane 55.64
    undecane 43.53
    tert-butylcyclohexane 101.25
    cyclooctane 50.61
    cyclopentanol 786.84
    tetrahydropyran 1506.09
    tert-amyl methyl ether 604.69
    2,5,8-trioxanonane 810.02
    1-hexene 356.38
    2-isopropoxyethanol 510.31
    2,2,2-trifluoroethanol 204.38
    methyl butyrate 449.47

    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
Lavandin (France) 1 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia), fam. Lamiaceae (Labiatae) 1.6%
Lavender (Spain) (var. pyrenaica) Lavandula angustifolia Mill. ssp. pyrenaica, fam. Lamiaceae (Labiatae) 0.3%
Lavandula lanata (Spain) 1 Lavandula lanata Boiss., fam. Lamiaceae (Labiatae) 0.1%
Lavender (France) 3 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 4.24%
Lavender (France) 4 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.65%
Lavender (France) 5 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 3.5%
Lavender (Algeria) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 2.06%
Lavandin (France) (Abrialis) 1 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 1.76%
Lavandin (France) (Super) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 1.55%
Lavandin (France) (Grosso) 1 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 1.95%
Lavandin (USA) 1a (Dutch) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Dutch cultivar), fam.Lamiaceae 0.64%
Lavandin (USA) 1b (Grappenhall) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Grappenhall cultivar),Lamiacea 0.65%
Lavandin (USA) 1d (Hidcote Giant) 8022-15-9 Lavandula x hydriba Rev. (L. x intermedia) (Hidcote Giant cultivar)Lamiace 1.88%
Lavandin (USA) 1e (Provence) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Provence cultivar), Lamiaceae 0.48%
Lavandin (USA) 1f (Seal) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Seal cultivar), fam. Lamiaceae 0.39%
Lavandin (USA) 1c (Grosso) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia) (Grosso cultivar),fam.Lamiaceae 3.76%
Lavender (USA) (var. Nana Alba) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Nana Alba cultivar) 7.45%
Lavender (USA) (var. Loddon pink) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Loddon pink cultivar) 25.51%
Lavender (USA) (var. Jean Davis) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Jean Davis cultivar) 21.51%
Lavender (USA) (var. Rosea) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Rosea cultivar) 21.32%
Lavender (USA) (var. Hidcote) 8000-28-0 Lavandula angustigolia Mill. (L. officinalis Chaix) (Hidcote cultivar) 3.63%
Lavender (USA) (var. Mitcham Grey) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Mitcham Grey cult.) 5.68%
Lavender (USA) (var. Munstead) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Munstead cultivar) 2.19%
Lavender (USA) (var. Compacta) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Compacta cultivar) 3.9%
Lavender (USA) (var. Graves) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Graves cultivar) 29.28%
Lavender (USA) (var. Irene Doyle) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Irene Doyle cultivar) 3.61%
Lavender (USA) (var. Maillette) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Maillette cultivar) 0.19%
Lavender (USA) (var. Twickel Purple) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix) (Twickel Purple cult.) 9.02%
Lemongrass (Rwanda) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 0.6%
Wormwood (Mugwort) (Germany) 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 2.78%
Lavender 2a hydrodiffusion 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 8.2%
Lavender 2b microwave 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 5.0%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 7.3%
Lavender 1c flower spike 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 2.41%
Lavender 1b corolla 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 3.54%
Lavender 1a calyx 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 2.15%
Peppermint (Canada) 1 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.5%
Lavandin (Italy) 1 (Grosso) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 2.0%
Artemisia roxburghiana (Himalaya) Artemisia roxburghiana Wall. ex Bies, var. hypolenca, fam. Asteraceae 2.5%
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) 0.3%
Rosemary (Spain) 4 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.4%
Wormwood (Mugwort) (U.S.A.) 2 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 1.81%
Chamomile, german (Germany) 2, Living Flower 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 0.32%
Lavandin (France) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 2.27%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 2.64%
Chenopodium ambrosioides Chenopodium ambrosioides L., fam. Chenopodiaceae 0.02%
Indian curry leaf tree (leaf) Murraya koenigii Spreng., fam. Rutaceae 0.9%
Lavender (Lithuania) 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 5.49%
Yarrow (Hungary) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 4.4%