Linalyl butyrate

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  • Identifiers

    CAS number
    78-36-4

    Molecular formula
    C14H24O2

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

    Safety labels

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1422.0
    • Carbowax: 1689.0

  • Odor profile

    Fruity 90.7%
    Sweet 70.53%
    Floral 69.28%
    Rose 59.15%
    Citrus 58.03%
    Green 52.73%
    Bergamot 51.89%
    Woody 49.79%
    Pear 49.59%
    Tropical 47.63%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.46 (weak base)

    Molecular weight
    224.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 220.00 to 222.00 °C. @ 760.00 mm Hg

    Flash point est.
    110.52 ˚C

    Solubility expt.

    • soluble in alcohols and oils, slightly soluble in water
    • 1 ml in 3 ml 80% alcohol (in ethanol)

  • Synonyms

    • Linalyl butyrate
    • 78-36-4
    • 3,7-Dimethylocta-1,6-dien-3-yl butyrate
    • Linalyl butanoate
    • 3,7-dimethylocta-1,6-dien-3-yl butanoate
    • Butyric acid, linalyl ester
    • 1,5-Dimethyl-1-vinyl-4-hexenyl butyrate
    • BUTANOIC ACID, 1-ETHENYL-1,5-DIMETHYL-4-HEXENYL ESTER
    • FEMA No. 2639
    • Butyric Acid Linalyl Ester
    • 3,7-Dimethyl-1,6-octadien-3-yl butyrate
    • Butyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
    • 1,6-Octadien-3-ol, 3,7-dimethyl-, butyrate
    • UNII-7K9F6ZOH3S
    • 3,7-Dimethyl-1,6-octadien-3-yl butanoate
    • 1-Ethenyl-1,5-dimethyl-4-hexenyl butanoate
    • EINECS 201-109-8
    • NSC 46144
    • AI3-24201
    • LINALOOL BUTYRATE
    • Butanoic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
    • NSC-46144
    • 7K9F6ZOH3S
    • LINALYL BUTYRATE [FHFI]
    • DTXSID20861635
    • 3,7-DIMETHYL-1,6-OCTADIEN-3-OL BUTYRATE
    • Butyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester (8CI)
    • linalylbutyrat
    • MFCD00048716
    • SCHEMBL310250
    • FEMA 2639
    • DTXCID70810532
    • Linalyl butyrate, >=95%, FG
    • CHEBI:171782
    • NSC46144
    • AKOS027320567
    • CS-W014706
    • AS-64035
    • Butanoic acid,5-dimethyl-4-hexenyl ester
    • L0275
    • NS00012792
    • D91261
    • Butyric acid,5-dimethyl-1-vinyl-4-hexenyl ester
    • Butyric acid, 1, 5-dimethyl-1-vinyl-4-hexenyl ester
    • Q27268463
    • 201-109-8

  • Applications

    Linalyl butyrate (CAS 78-36-4) is a naturally occurring fragrant ester with a soft floral-fruity scent that sees extensive use in perfumery and cosmetics as a top- and mid-note component, adding depth and longevity to eau de parfum, body mists, shampoos, shower gels, and creams; in food technology it functions as a flavor additive for candies, beverages, yogurts, and baked goods, recreating subtle citrus, peach, and lavender nuances; in household care it appears in detergents, fabric softeners, air fresheners, and scented candles to mask malodors and impart freshness; its high volatility and pleasant aroma also make it popular in aromatherapy formulations for relaxation and stress relief, while in flavor and fragrance compounding it serves as a versatile modifier that smooths harsh notes or rounds out complex blends.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2865.44
    methanol 2662.33
    isopropanol 2556.14
    water 0.48
    ethyl acetate 1994.22
    n-propanol 2294.59
    acetone 1793.72
    n-butanol 2498.21
    acetonitrile 1035.58
    DMF 1848.08
    toluene 1473.47
    isobutanol 2096.36
    1,4-dioxane 3135.82
    methyl acetate 1286.49
    THF 4149.48
    2-butanone 1809.54
    n-pentanol 2033.17
    sec-butanol 2814.91
    n-hexane 1265.9
    ethylene glycol 139.35
    NMP 1927.55
    cyclohexane 1444.26
    DMSO 1274.2
    n-butyl acetate 2114.69
    n-octanol 1241.68
    chloroform 4577.16
    n-propyl acetate 1225.56
    acetic acid 1217.62
    dichloromethane 3183.6
    cyclohexanone 3111.51
    propylene glycol 455.21
    isopropyl acetate 1565.21
    DMAc 2057.56
    2-ethoxyethanol 1239.45
    isopentanol 2445.31
    n-heptane 527.64
    ethyl formate 947.93
    1,2-dichloroethane 1945.43
    n-hexanol 2829.12
    2-methoxyethanol 1757.25
    isobutyl acetate 974.78
    tetrachloromethane 670.23
    n-pentyl acetate 1293.75
    transcutol 3927.78
    n-heptanol 1022.78
    ethylbenzene 1018.56
    MIBK 1273.01
    2-propoxyethanol 2143.06
    tert-butanol 3196.0
    MTBE 3268.81
    2-butoxyethanol 1091.39
    propionic acid 994.31
    o-xylene 901.09
    formic acid 248.73
    diethyl ether 2755.48
    m-xylene 1026.85
    p-xylene 1281.55
    chlorobenzene 1392.48
    dimethyl carbonate 369.91
    n-octane 208.73
    formamide 296.92
    cyclopentanone 2083.55
    2-pentanone 1741.14
    anisole 1215.46
    cyclopentyl methyl ether 2396.44
    gamma-butyrolactone 1967.42
    1-methoxy-2-propanol 1621.78
    pyridine 2011.77
    3-pentanone 1194.01
    furfural 1444.12
    n-dodecane 153.35
    diethylene glycol 884.79
    diisopropyl ether 1052.74
    tert-amyl alcohol 3266.4
    acetylacetone 1359.44
    n-hexadecane 174.39
    acetophenone 973.94
    methyl propionate 1106.68
    isopentyl acetate 1974.9
    trichloroethylene 3222.44
    n-nonanol 1061.97
    cyclohexanol 2855.11
    benzyl alcohol 979.5
    2-ethylhexanol 1616.35
    isooctanol 817.3
    dipropyl ether 1468.57
    1,2-dichlorobenzene 1170.14
    ethyl lactate 446.13
    propylene carbonate 1360.04
    n-methylformamide 655.19
    2-pentanol 2183.21
    n-pentane 762.1
    1-propoxy-2-propanol 1705.8
    1-methoxy-2-propyl acetate 1380.0
    2-(2-methoxypropoxy) propanol 1117.93
    mesitylene 643.86
    ε-caprolactone 2510.04
    p-cymene 538.78
    epichlorohydrin 2398.46
    1,1,1-trichloroethane 2404.51
    2-aminoethanol 548.95
    morpholine-4-carbaldehyde 1980.61
    sulfolane 1849.5
    2,2,4-trimethylpentane 376.21
    2-methyltetrahydrofuran 3873.58
    n-hexyl acetate 2148.59
    isooctane 286.12
    2-(2-butoxyethoxy)ethanol 1497.39
    sec-butyl acetate 1049.46
    tert-butyl acetate 1626.78
    decalin 538.84
    glycerin 428.29
    diglyme 2163.84
    acrylic acid 584.9
    isopropyl myristate 735.86
    n-butyric acid 2152.72
    acetyl acetate 1035.7
    di(2-ethylhexyl) phthalate 590.66
    ethyl propionate 1049.95
    nitromethane 1218.6
    1,2-diethoxyethane 1882.73
    benzonitrile 1180.42
    trioctyl phosphate 445.89
    1-bromopropane 2141.43
    gamma-valerolactone 2521.1
    n-decanol 731.09
    triethyl phosphate 471.15
    4-methyl-2-pentanol 1208.71
    propionitrile 1218.42
    vinylene carbonate 1146.41
    1,1,2-trichlorotrifluoroethane 1382.17
    DMS 875.35
    cumene 647.9
    2-octanol 939.95
    2-hexanone 1494.88
    octyl acetate 950.74
    limonene 1019.76
    1,2-dimethoxyethane 2341.66
    ethyl orthosilicate 526.51
    tributyl phosphate 587.84
    diacetone alcohol 1377.01
    N,N-dimethylaniline 904.92
    acrylonitrile 871.44
    aniline 1170.75
    1,3-propanediol 1002.87
    bromobenzene 1590.46
    dibromomethane 2705.58
    1,1,2,2-tetrachloroethane 3035.33
    2-methyl-cyclohexyl acetate 1092.45
    tetrabutyl urea 718.15
    diisobutyl methanol 744.41
    2-phenylethanol 1214.35
    styrene 1137.35
    dioctyl adipate 895.83
    dimethyl sulfate 482.18
    ethyl butyrate 1212.6
    methyl lactate 462.35
    butyl lactate 795.47
    diethyl carbonate 732.3
    propanediol butyl ether 1036.0
    triethyl orthoformate 825.62
    p-tert-butyltoluene 520.61
    methyl 4-tert-butylbenzoate 931.2
    morpholine 3735.16
    tert-butylamine 2440.4
    n-dodecanol 544.69
    dimethoxymethane 1387.38
    ethylene carbonate 1092.26
    cyrene 775.06
    2-ethoxyethyl acetate 1201.46
    2-ethylhexyl acetate 1597.64
    1,2,4-trichlorobenzene 1342.86
    4-methylpyridine 2647.23
    dibutyl ether 1576.48
    2,6-dimethyl-4-heptanol 744.41
    DEF 1783.55
    dimethyl isosorbide 1629.69
    tetrachloroethylene 1822.07
    eugenol 831.77
    triacetin 1140.04
    span 80 1174.8
    1,4-butanediol 456.06
    1,1-dichloroethane 2551.19
    2-methyl-1-pentanol 2092.42
    methyl formate 485.99
    2-methyl-1-butanol 2390.2
    n-decane 278.29
    butyronitrile 1941.35
    3,7-dimethyl-1-octanol 1178.85
    1-chlorooctane 871.13
    1-chlorotetradecane 340.28
    n-nonane 301.78
    undecane 196.58
    tert-butylcyclohexane 512.25
    cyclooctane 433.65
    cyclopentanol 1964.22
    tetrahydropyran 4676.16
    tert-amyl methyl ether 2286.51
    2,5,8-trioxanonane 1488.64
    1-hexene 2473.52
    2-isopropoxyethanol 1054.61
    2,2,2-trifluoroethanol 256.81
    methyl butyrate 1462.82

    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
Spike lavender (Spain) 5 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.03%