Linalyl valerate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    10471-96-2

    Molecular formula
    C15H26O2

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

    Retention indicies (RI)

    • Carbowax: 1765.0

  • Odor profile

    Fruity 87.79%
    Sweet 62.37%
    Floral 58.9%
    Rose 54.16%
    Herbal 50.58%
    Citrus 48.3%
    Bergamot 46.26%
    Pear 44.54%
    Woody 42.64%
    Pineapple 41.84%

    Scent© AI

  • Properties

    XLogP3-AA
    4.7

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    265°C

    Flash point est.
    121.76 ˚C

  • Synonyms

    • Linalyl valerate
    • 10471-96-2
    • 1,5-Dimethyl-1-vinylhex-4-enyl valerate
    • Linalyl pentanoate
    • UNII-HA76KNF2JB
    • HA76KNF2JB
    • 3,7-dimethylocta-1,6-dien-3-yl pentanoate
    • Linalyl N-valerate
    • Pentanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
    • Pentanoic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
    • EINECS 233-961-1
    • LINALOOL VALERIANATE
    • DTXSID10864276
    • LINALYL VALERATE, (+/-)-
    • Valeric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
    • 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, VALERATE
    • linalylvalerianat
    • SCHEMBL309378
    • DTXCID10812813
    • NS00052364
    • 1,5-Dimethyl-1-vinyl-4-hexenyl pentanoate #
    • Q27279821

  • Applications

    Linalyl valerate (CAS 10471-96-2) is an ester of linalool and valeric acid with a fruity–floral, slightly herbaceous, lavender-like odor, used primarily as a fragrance ingredient in fine perfumes, body sprays, shampoos, shower gels, soaps, detergents, fabric softeners, candles, and air-care products; it acts as a modifier and extender to smooth and prolong notes, offering greater softness and tenacity than lighter esters, performing well in citrus, lavender, fougère, cologne, and chypre themes and in encapsulated or controlled-release systems for home care; in R&D and quality control it serves as a reference/standard for GC/MS profiling and as a model substrate in esterification/hydrolysis studies; it may be explored in flavor formulation where permitted by local regulations, though its main use remains perfumery; formulation and handling notes: susceptible to oxidation/hydrolysis, so store tightly closed, cool, and protected from light/air, optionally with antioxidants and metal chelators, and test stability in surfactant-rich bases; comply with IFRA and regional GHS/CLP rules (e.g., REACH), use appropriate PPE, assess skin-sensitization potential, and meet allergen disclosure requirements if residual linalool or oxidation products are present.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2337.97
    methanol 2000.29
    isopropanol 1947.88
    water 0.19
    ethyl acetate 1894.72
    n-propanol 1876.56
    acetone 1399.75
    n-butanol 2016.96
    acetonitrile 787.32
    DMF 1538.51
    toluene 1319.67
    isobutanol 1604.31
    1,4-dioxane 2774.96
    methyl acetate 1111.21
    THF 3661.25
    2-butanone 1513.82
    n-pentanol 1735.67
    sec-butanol 2312.74
    n-hexane 933.74
    ethylene glycol 100.67
    NMP 1529.79
    cyclohexane 1180.07
    DMSO 1047.01
    n-butyl acetate 1928.33
    n-octanol 914.68
    chloroform 3643.99
    n-propyl acetate 1099.35
    acetic acid 887.04
    dichloromethane 2726.82
    cyclohexanone 2544.19
    propylene glycol 327.43
    isopropyl acetate 1530.49
    DMAc 1896.14
    2-ethoxyethanol 1150.57
    isopentanol 2138.88
    n-heptane 385.17
    ethyl formate 743.45
    1,2-dichloroethane 1833.52
    n-hexanol 2381.54
    2-methoxyethanol 1472.95
    isobutyl acetate 932.97
    tetrachloromethane 550.69
    n-pentyl acetate 1128.07
    transcutol 3882.56
    n-heptanol 812.34
    ethylbenzene 880.77
    MIBK 1150.03
    2-propoxyethanol 1976.23
    tert-butanol 2666.93
    MTBE 3269.46
    2-butoxyethanol 988.05
    propionic acid 736.2
    o-xylene 803.91
    formic acid 178.73
    diethyl ether 2657.19
    m-xylene 921.49
    p-xylene 1066.33
    chlorobenzene 1196.92
    dimethyl carbonate 299.09
    n-octane 156.6
    formamide 225.88
    cyclopentanone 1687.67
    2-pentanone 1556.41
    anisole 1148.4
    cyclopentyl methyl ether 2120.45
    gamma-butyrolactone 1482.86
    1-methoxy-2-propanol 1420.84
    pyridine 1767.4
    3-pentanone 1034.13
    furfural 1152.52
    n-dodecane 114.79
    diethylene glycol 789.92
    diisopropyl ether 1049.4
    tert-amyl alcohol 2728.69
    acetylacetone 1241.04
    n-hexadecane 133.16
    acetophenone 888.9
    methyl propionate 988.67
    isopentyl acetate 1934.96
    trichloroethylene 2797.77
    n-nonanol 819.56
    cyclohexanol 2140.26
    benzyl alcohol 822.56
    2-ethylhexanol 1367.31
    isooctanol 691.68
    dipropyl ether 1244.8
    1,2-dichlorobenzene 1046.53
    ethyl lactate 388.58
    propylene carbonate 1031.37
    n-methylformamide 506.65
    2-pentanol 1812.59
    n-pentane 571.1
    1-propoxy-2-propanol 1512.9
    1-methoxy-2-propyl acetate 1359.28
    2-(2-methoxypropoxy) propanol 1075.76
    mesitylene 600.09
    ε-caprolactone 2170.79
    p-cymene 479.72
    epichlorohydrin 2177.01
    1,1,1-trichloroethane 2048.31
    2-aminoethanol 416.8
    morpholine-4-carbaldehyde 1685.73
    sulfolane 1447.56
    2,2,4-trimethylpentane 325.72
    2-methyltetrahydrofuran 3572.19
    n-hexyl acetate 1820.25
    isooctane 244.31
    2-(2-butoxyethoxy)ethanol 1422.02
    sec-butyl acetate 1048.97
    tert-butyl acetate 1568.82
    decalin 484.83
    glycerin 324.15
    diglyme 2122.75
    acrylic acid 411.93
    isopropyl myristate 652.54
    n-butyric acid 1734.72
    acetyl acetate 912.01
    di(2-ethylhexyl) phthalate 513.39
    ethyl propionate 962.34
    nitromethane 898.16
    1,2-diethoxyethane 1955.42
    benzonitrile 961.28
    trioctyl phosphate 374.86
    1-bromopropane 1837.44
    gamma-valerolactone 2101.5
    n-decanol 586.75
    triethyl phosphate 428.83
    4-methyl-2-pentanol 1074.41
    propionitrile 933.33
    vinylene carbonate 838.2
    1,1,2-trichlorotrifluoroethane 1184.56
    DMS 790.01
    cumene 592.95
    2-octanol 711.64
    2-hexanone 1314.89
    octyl acetate 808.91
    limonene 912.57
    1,2-dimethoxyethane 2159.43
    ethyl orthosilicate 487.78
    tributyl phosphate 506.62
    diacetone alcohol 1249.49
    N,N-dimethylaniline 840.87
    acrylonitrile 669.72
    aniline 991.48
    1,3-propanediol 809.27
    bromobenzene 1382.65
    dibromomethane 2182.14
    1,1,2,2-tetrachloroethane 2736.2
    2-methyl-cyclohexyl acetate 985.66
    tetrabutyl urea 614.69
    diisobutyl methanol 657.93
    2-phenylethanol 1044.8
    styrene 983.36
    dioctyl adipate 781.94
    dimethyl sulfate 372.44
    ethyl butyrate 1077.4
    methyl lactate 375.16
    butyl lactate 665.45
    diethyl carbonate 662.19
    propanediol butyl ether 860.11
    triethyl orthoformate 771.04
    p-tert-butyltoluene 470.44
    methyl 4-tert-butylbenzoate 839.46
    morpholine 3388.04
    tert-butylamine 1991.18
    n-dodecanol 440.78
    dimethoxymethane 1242.77
    ethylene carbonate 838.51
    cyrene 666.44
    2-ethoxyethyl acetate 1135.66
    2-ethylhexyl acetate 1577.24
    1,2,4-trichlorobenzene 1190.04
    4-methylpyridine 2277.91
    dibutyl ether 1385.05
    2,6-dimethyl-4-heptanol 657.93
    DEF 1612.48
    dimethyl isosorbide 1484.52
    tetrachloroethylene 1633.05
    eugenol 763.22
    triacetin 1012.31
    span 80 1028.51
    1,4-butanediol 358.36
    1,1-dichloroethane 2190.81
    2-methyl-1-pentanol 1827.25
    methyl formate 355.81
    2-methyl-1-butanol 1952.75
    n-decane 206.21
    butyronitrile 1508.91
    3,7-dimethyl-1-octanol 1027.77
    1-chlorooctane 702.78
    1-chlorotetradecane 285.76
    n-nonane 213.83
    undecane 148.24
    tert-butylcyclohexane 453.56
    cyclooctane 348.08
    cyclopentanol 1466.6
    tetrahydropyran 4318.72
    tert-amyl methyl ether 2257.29
    2,5,8-trioxanonane 1405.83
    1-hexene 2022.65
    2-isopropoxyethanol 993.01
    2,2,2-trifluoroethanol 179.77
    methyl butyrate 1304.8

    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
Pennyroyal 4 8013-99-8 Mentha pulegium L., fam. Lamiaceae (Labiatae) 1.3%