Linalyl hexanoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    7779-23-9

    Molecular formula
    C16H28O2

    SMILES
    CCCCCC(=O)OC(C)(CCC=C(C)C)C=C

    Retention indicies (RI)

    • Carbowax: 1843.0

  • Odor profile

    Fragrance
    Fruity 87.23%
    Floral 58.93%
    Sweet 56.15%
    Rose 53.78%
    Green 52.42%
    Herbal 50.51%
    Citrus 46.98%
    Pear 46.19%
    Pineapple 43.18%
    Tropical 42.7%

     

    Flavor
    Fruity 72.11%
    Sweet 55.82%
    Green 53.29%
    Bergamot 47.74%
    Herbal 46.72%
    Woody 45.63%
    Lavender 38.05%
    Tropical 37.66%
    Rose 36.73%
    Berry 36.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    8.09 (weak base)

    Molecular weight
    252.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 252.00 °C. @ 760.00 mm Hg

    Flash point

    • 126.42 ˚C est.

    Solubility expt.

    • insoluble in water, soluble in alcohol and oils

  • Synonyms

    • Linalyl hexanoate
    • Linalyl caproate
    • 7779-23-9
    • Linalyl capronate
    • Linalyl hexoate
    • Linalyl n-hexanoate
    • 3,7-dimethylocta-1,6-dien-3-yl hexanoate
    • Hexanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
    • FEMA No. 2643
    • 1,5-Dimethyl-1-vinyl-4-hexenyl hexanoate
    • 1,5-Dimethyl-1-vinylhex-4-enyl hexanoate
    • 3,7-Dimethyl-1,6-octadien-3-yl hexanoate
    • EINECS 231-922-3
    • UNII-70M593F8B8
    • Hexanoic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
    • 1-Ethenyl-1,5-dimethyl-4-hexenyl hexanoate
    • Hexanoic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
    • DTXSID3052519
    • LINALYL HEXANOATE [FHFI]
    • FEMA 2643
    • 70M593F8B8
    • Hexanoic acid,1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
    • 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, HEXANOATE
    • Linalyl hexylate
    • Linalyl hexanoic acid
    • SCHEMBL874024
    • DTXCID1031092
    • CHEBI:196060
    • AKOS015951104
    • NS00012343
    • 3,7-Dimethylocta-1,6-dien-3-yl hexanoic acid
    • Q27265875

  • Applications

    Linalyl hexanoate (CAS 7779-23-9) is primarily used as a fragrance ingredient in perfumery, contributing floral-green notes and often serving as a fixative to extend scent longevity. It is also used in cosmetics and personal care products as an aroma component. In household cleaning products, it acts as an odorant/freshening agent to impart pleasant scents. In the flavor industry, it may be evaluated as an aroma additive for certain flavor profiles. Additionally, it can serve as an intermediate in the synthesis of other fragrance esters and related compounds in industrial manufacturing, with usage governed by formulation specifications and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3328.46
    methanol 2769.92
    isopropanol 2622.14
    water 0.15
    ethyl acetate 3326.71
    n-propanol 2461.71
    acetone 2366.68
    n-butanol 2602.13
    acetonitrile 1223.94
    DMF 2339.46
    toluene 1785.58
    isobutanol 2149.2
    1,4-dioxane 3773.93
    methyl acetate 1721.95
    THF 5481.4
    2-butanone 2359.7
    n-pentanol 2053.85
    sec-butanol 2934.11
    n-hexane 1009.43
    ethylene glycol 118.03
    NMP 2337.15
    cyclohexane 1447.31
    DMSO 1594.84
    n-butyl acetate 2843.18
    n-octanol 1091.94
    chloroform 4712.3
    n-propyl acetate 1699.68
    acetic acid 1238.97
    dichloromethane 3971.08
    cyclohexanone 3786.83
    propylene glycol 386.09
    isopropyl acetate 2587.13
    DMAc 2621.87
    2-ethoxyethanol 1528.12
    isopentanol 2774.64
    n-heptane 451.0
    ethyl formate 1111.28
    1,2-dichloroethane 2769.37
    n-hexanol 2714.75
    2-methoxyethanol 2096.1
    isobutyl acetate 1351.78
    tetrachloromethane 707.39
    n-pentyl acetate 1690.3
    transcutol 5823.67
    n-heptanol 953.42
    ethylbenzene 1079.94
    MIBK 1776.68
    2-propoxyethanol 2504.24
    tert-butanol 3323.74
    MTBE 4639.75
    2-butoxyethanol 1259.72
    propionic acid 1043.11
    o-xylene 1045.33
    formic acid 242.67
    diethyl ether 4086.74
    m-xylene 1222.29
    p-xylene 1313.25
    chlorobenzene 1664.68
    dimethyl carbonate 461.26
    n-octane 181.69
    formamide 330.22
    cyclopentanone 2621.15
    2-pentanone 2592.47
    anisole 1493.45
    cyclopentyl methyl ether 3217.64
    gamma-butyrolactone 2381.61
    1-methoxy-2-propanol 2001.89
    pyridine 2484.64
    3-pentanone 1685.2
    furfural 1634.35
    n-dodecane 128.5
    diethylene glycol 1004.19
    diisopropyl ether 1564.4
    tert-amyl alcohol 3348.34
    acetylacetone 2021.51
    n-hexadecane 151.93
    acetophenone 1198.46
    methyl propionate 1720.15
    isopentyl acetate 2802.5
    trichloroethylene 4062.2
    n-nonanol 970.08
    cyclohexanol 2842.41
    benzyl alcohol 1016.42
    2-ethylhexanol 1675.96
    isooctanol 842.29
    dipropyl ether 1749.7
    1,2-dichlorobenzene 1406.06
    ethyl lactate 525.49
    propylene carbonate 1609.89
    n-methylformamide 784.4
    2-pentanol 2450.29
    n-pentane 674.97
    1-propoxy-2-propanol 2004.68
    1-methoxy-2-propyl acetate 2075.55
    2-(2-methoxypropoxy) propanol 1374.27
    mesitylene 777.58
    ε-caprolactone 3247.87
    p-cymene 603.97
    epichlorohydrin 3302.37
    1,1,1-trichloroethane 2913.51
    2-aminoethanol 516.58
    morpholine-4-carbaldehyde 2357.05
    sulfolane 2300.9
    2,2,4-trimethylpentane 385.94
    2-methyltetrahydrofuran 5337.14
    n-hexyl acetate 2573.68
    isooctane 297.78
    2-(2-butoxyethoxy)ethanol 1888.14
    sec-butyl acetate 1567.72
    tert-butyl acetate 2431.2
    decalin 577.88
    glycerin 384.7
    diglyme 2865.11
    acrylic acid 554.34
    isopropyl myristate 886.01
    n-butyric acid 2550.5
    acetyl acetate 1474.14
    di(2-ethylhexyl) phthalate 669.24
    ethyl propionate 1544.61
    nitromethane 1453.49
    1,2-diethoxyethane 2904.51
    benzonitrile 1239.74
    trioctyl phosphate 485.65
    1-bromopropane 2584.36
    gamma-valerolactone 3243.21
    n-decanol 676.59
    triethyl phosphate 589.47
    4-methyl-2-pentanol 1399.15
    propionitrile 1312.35
    vinylene carbonate 1228.66
    1,1,2-trichlorotrifluoroethane 1615.11
    DMS 1152.7
    cumene 721.13
    2-octanol 865.66
    2-hexanone 1858.34
    octyl acetate 1085.28
    limonene 1234.3
    1,2-dimethoxyethane 2879.56
    ethyl orthosilicate 661.88
    tributyl phosphate 679.05
    diacetone alcohol 1791.09
    N,N-dimethylaniline 1069.76
    acrylonitrile 950.92
    aniline 1333.56
    1,3-propanediol 1061.12
    bromobenzene 1958.72
    dibromomethane 3078.6
    1,1,2,2-tetrachloroethane 3781.56
    2-methyl-cyclohexyl acetate 1361.56
    tetrabutyl urea 822.32
    diisobutyl methanol 825.32
    2-phenylethanol 1284.5
    styrene 1229.94
    dioctyl adipate 1073.8
    dimethyl sulfate 575.58
    ethyl butyrate 1629.84
    methyl lactate 523.63
    butyl lactate 950.48
    diethyl carbonate 940.11
    propanediol butyl ether 1069.96
    triethyl orthoformate 1081.06
    p-tert-butyltoluene 583.13
    methyl 4-tert-butylbenzoate 1110.78
    morpholine 4859.86
    tert-butylamine 2459.67
    n-dodecanol 502.77
    dimethoxymethane 1983.08
    ethylene carbonate 1260.18
    cyrene 856.25
    2-ethoxyethyl acetate 1741.48
    2-ethylhexyl acetate 2252.64
    1,2,4-trichlorobenzene 1638.67
    4-methylpyridine 3183.89
    dibutyl ether 1958.9
    2,6-dimethyl-4-heptanol 825.32
    DEF 2634.65
    dimethyl isosorbide 2053.13
    tetrachloroethylene 2265.94
    eugenol 950.32
    triacetin 1407.96
    span 80 1318.98
    1,4-butanediol 416.61
    1,1-dichloroethane 3142.15
    2-methyl-1-pentanol 2192.56
    methyl formate 535.58
    2-methyl-1-butanol 2456.16
    n-decane 237.66
    butyronitrile 2140.17
    3,7-dimethyl-1-octanol 1251.13
    1-chlorooctane 909.7
    1-chlorotetradecane 350.15
    n-nonane 253.0
    undecane 167.25
    tert-butylcyclohexane 533.64
    cyclooctane 409.37
    cyclopentanol 2009.43
    tetrahydropyran 6271.7
    tert-amyl methyl ether 3110.57
    2,5,8-trioxanonane 1881.06
    1-hexene 2415.39
    2-isopropoxyethanol 1314.78
    2,2,2-trifluoroethanol 245.56
    methyl butyrate 2017.02

    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
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.11%
Lavandin (France) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 0.01%