Neryl valerate

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  • Identifiers

    CAS number
    10522-33-5

    Molecular formula
    C15H26O2

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

  • Odor profile

    Fragrance
    Fruity 86.02%
    Rose 76.86%
    Floral 72.9%
    Apple 55.33%
    Sweet 51.09%
    Green 47.92%
    Waxy 47.74%
    Winey 47.19%
    Tropical 45.99%
    Geranium 43.21%

     

    Flavor
    Rose 52.7%
    Green 52.49%
    Fruity 51.29%
    Waxy 43.23%
    Floral 39.98%
    Sweet 39.46%
    Bitter 35.39%
    Tropical 35.29%
    Geranium 34.94%
    Apple 32.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    8.48 (weak base)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 291 °C

    Boiling point

    • 290.00 to 291.00 °C. @ 760.00 mm Hg

    Flash point

    • 125.28 ˚C est.

  • Synonyms

    • Neryl valerate
    • 10522-33-5
    • [(2Z)-3,7-dimethylocta-2,6-dienyl] pentanoate
    • (Z)-3,7-Dimethylocta-2,6-dienyl valerate
    • DTXSID80884486
    • EINECS 234-070-0
    • Pentanoic acid, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester
    • (Z)-3,7-Dimethylocta-2,6-dienyl pentanoate
    • (2Z)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL PENTANOATE
    • Pentanoic acid, (2Z)-3,7-dimethyl-2,6-octadienyl ester
    • ((2Z)-3,7-dimethylocta-2,6-dienyl) pentanoate
    • neryl pentanoate
    • DTXCID001023922
    • LMFA07010899
    • NS00087329
    • 3,7-Dimethyl-2,6-octadienyl ester(E)-Pentanoic acid

  • Applications

    Neryl valerate is an aroma ester used primarily as a fragrance ingredient in perfumery. In cosmetics and personal care, it serves as a scent component in products such as moisturizers, lotions, and shampoos; in household products, such as air fresheners and cleaning/detergent formulations, it contributes a floral note; and in industrial manufacturing it is used as an aroma additive in fragrance formulations for consumer products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1318.52
    methanol 1062.38
    isopropanol 994.11
    water 0.12
    ethyl acetate 969.09
    n-propanol 871.98
    acetone 786.66
    n-butanol 973.0
    acetonitrile 509.94
    DMF 548.47
    toluene 534.69
    isobutanol 622.62
    1,4-dioxane 1639.82
    methyl acetate 552.35
    THF 1832.05
    2-butanone 757.52
    n-pentanol 751.77
    sec-butanol 933.62
    n-hexane 251.44
    ethylene glycol 45.35
    NMP 534.23
    cyclohexane 393.51
    DMSO 602.26
    n-butyl acetate 813.04
    n-octanol 305.72
    chloroform 1949.17
    n-propyl acetate 634.22
    acetic acid 493.17
    dichloromethane 1587.12
    cyclohexanone 1140.47
    propylene glycol 165.13
    isopropyl acetate 644.54
    DMAc 681.87
    2-ethoxyethanol 689.24
    isopentanol 867.32
    n-heptane 102.99
    ethyl formate 358.11
    1,2-dichloroethane 994.2
    n-hexanol 784.72
    2-methoxyethanol 889.78
    isobutyl acetate 425.68
    tetrachloromethane 255.67
    n-pentyl acetate 460.98
    transcutol 2538.6
    n-heptanol 314.94
    ethylbenzene 338.46
    MIBK 476.93
    2-propoxyethanol 831.15
    tert-butanol 1218.23
    MTBE 1206.37
    2-butoxyethanol 504.08
    propionic acid 357.2
    o-xylene 316.53
    formic acid 91.66
    diethyl ether 1230.88
    m-xylene 343.55
    p-xylene 436.08
    chlorobenzene 541.78
    dimethyl carbonate 109.68
    n-octane 40.36
    formamide 140.7
    cyclopentanone 776.28
    2-pentanone 724.5
    anisole 501.38
    cyclopentyl methyl ether 847.81
    gamma-butyrolactone 679.51
    1-methoxy-2-propanol 703.95
    pyridine 1034.77
    3-pentanone 463.25
    furfural 597.8
    n-dodecane 28.01
    diethylene glycol 332.61
    diisopropyl ether 347.99
    tert-amyl alcohol 1031.84
    acetylacetone 601.69
    n-hexadecane 32.82
    acetophenone 418.83
    methyl propionate 414.33
    isopentyl acetate 747.52
    trichloroethylene 1599.46
    n-nonanol 286.59
    cyclohexanol 861.96
    benzyl alcohol 398.37
    2-ethylhexanol 480.02
    isooctanol 263.87
    dipropyl ether 553.32
    1,2-dichlorobenzene 454.37
    ethyl lactate 214.49
    propylene carbonate 479.45
    n-methylformamide 220.49
    2-pentanol 728.88
    n-pentane 155.53
    1-propoxy-2-propanol 689.61
    1-methoxy-2-propyl acetate 592.97
    2-(2-methoxypropoxy) propanol 514.28
    mesitylene 221.01
    ε-caprolactone 891.89
    p-cymene 192.57
    epichlorohydrin 1115.38
    1,1,1-trichloroethane 999.67
    2-aminoethanol 207.54
    morpholine-4-carbaldehyde 716.93
    sulfolane 673.71
    2,2,4-trimethylpentane 85.54
    2-methyltetrahydrofuran 1526.59
    n-hexyl acetate 650.06
    isooctane 61.63
    2-(2-butoxyethoxy)ethanol 727.68
    sec-butyl acetate 503.76
    tert-butyl acetate 630.63
    decalin 148.68
    glycerin 164.76
    diglyme 1214.91
    acrylic acid 205.81
    isopropyl myristate 241.57
    n-butyric acid 844.23
    acetyl acetate 448.33
    di(2-ethylhexyl) phthalate 217.37
    ethyl propionate 484.07
    nitromethane 545.72
    1,2-diethoxyethane 999.35
    benzonitrile 470.39
    trioctyl phosphate 144.09
    1-bromopropane 813.29
    gamma-valerolactone 1012.26
    n-decanol 202.1
    triethyl phosphate 212.33
    4-methyl-2-pentanol 385.38
    propionitrile 473.13
    vinylene carbonate 383.51
    1,1,2-trichlorotrifluoroethane 591.3
    DMS 320.19
    cumene 229.55
    2-octanol 233.77
    2-hexanone 638.69
    octyl acetate 294.32
    limonene 333.23
    1,2-dimethoxyethane 1224.74
    ethyl orthosilicate 237.17
    tributyl phosphate 197.67
    diacetone alcohol 564.64
    N,N-dimethylaniline 341.0
    acrylonitrile 361.5
    aniline 505.33
    1,3-propanediol 438.31
    bromobenzene 604.96
    dibromomethane 1184.64
    1,1,2,2-tetrachloroethane 1511.4
    2-methyl-cyclohexyl acetate 444.99
    tetrabutyl urea 236.37
    diisobutyl methanol 249.05
    2-phenylethanol 440.0
    styrene 415.72
    dioctyl adipate 345.01
    dimethyl sulfate 143.28
    ethyl butyrate 548.31
    methyl lactate 161.06
    butyl lactate 313.72
    diethyl carbonate 322.84
    propanediol butyl ether 401.86
    triethyl orthoformate 376.67
    p-tert-butyltoluene 179.48
    methyl 4-tert-butylbenzoate 368.8
    morpholine 2050.57
    tert-butylamine 847.84
    n-dodecanol 150.5
    dimethoxymethane 520.41
    ethylene carbonate 368.64
    cyrene 344.54
    2-ethoxyethyl acetate 560.64
    2-ethylhexyl acetate 597.44
    1,2,4-trichlorobenzene 532.72
    4-methylpyridine 1046.06
    dibutyl ether 541.25
    2,6-dimethyl-4-heptanol 249.05
    DEF 651.32
    dimethyl isosorbide 726.86
    tetrachloroethylene 878.5
    eugenol 363.36
    triacetin 471.26
    span 80 494.39
    1,4-butanediol 168.61
    1,1-dichloroethane 1083.32
    2-methyl-1-pentanol 694.39
    methyl formate 134.67
    2-methyl-1-butanol 738.42
    n-decane 54.49
    butyronitrile 740.1
    3,7-dimethyl-1-octanol 347.89
    1-chlorooctane 230.07
    1-chlorotetradecane 86.95
    n-nonane 53.9
    undecane 37.17
    tert-butylcyclohexane 130.81
    cyclooctane 96.78
    cyclopentanol 558.91
    tetrahydropyran 2168.83
    tert-amyl methyl ether 760.89
    2,5,8-trioxanonane 778.92
    1-hexene 745.96
    2-isopropoxyethanol 517.85
    2,2,2-trifluoroethanol 90.56
    methyl butyrate 688.31

    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