Nerolidyl isobutyrate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2639-68-1

    Molecular formula
    C19H32O2

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

  • Odor profile

    Fragrance
    Floral 76.66%
    Sweet 73.31%
    Fruity 68.01%
    Woody 59.39%
    Citrus 58.52%
    Rose 54.33%
    Green 53.71%
    Bergamot 47.53%
    Tropical 46.72%
    Waxy 45.26%

     

    Flavor
    Fruity 60.86%
    Bergamot 55.07%
    Woody 54.3%
    Sweet 52.36%
    Green 49.18%
    Floral 44.89%
    Lavender 43.21%
    Citrus 41.29%
    Rose 41.13%
    Herbal 38.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    7.89 (neutral)

    Molecular weight
    292.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    301°C

    Flash point

    • 137.92 ˚C est.

  • Synonyms

    • Nerolidyl isobutyrate
    • 2639-68-1
    • Propanoic acid, 2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester
    • 3,7,11-trimethyldodeca-1,6,10-trien-3-yl 2-methylpropanoate
    • DTXSID60883876
    • TXLYSYOKEBFFAC-UHFFFAOYSA-N
    • DB-046945
    • NS00049399

  • Applications

    Nerolidyl isobutyrate (CAS 2639-68-1) is used primarily as a fragrance ingredient, acting as a fragrance component and fixative to extend scent in perfumery. In cosmetics and personal care, it is commonly used as a scent ingredient in products such as creams, lotions, and shower gels. In household products, including detergents, cleaners, and air fresheners, it is added to impart a lasting fragrance. It may be explored as an aroma ingredient in flavor formulations and general fragrance applications. In coatings, inks, and adhesives, it can serve as a fragrance modifier, helping to impart or preserve odor in product formulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 689.75
    methanol 347.43
    isopropanol 721.33
    water 0.06
    ethyl acetate 1539.15
    n-propanol 724.45
    acetone 650.35
    n-butanol 892.03
    acetonitrile 309.21
    DMF 514.72
    toluene 1146.61
    isobutanol 720.71
    1,4-dioxane 1463.6
    methyl acetate 778.3
    THF 2190.55
    2-butanone 1151.5
    n-pentanol 950.35
    sec-butanol 1252.2
    n-hexane 664.25
    ethylene glycol 12.42
    NMP 693.86
    cyclohexane 659.72
    DMSO 319.69
    n-butyl acetate 1666.78
    n-octanol 701.87
    chloroform 2530.01
    n-propyl acetate 1119.17
    acetic acid 263.0
    dichloromethane 2093.88
    cyclohexanone 1616.18
    propylene glycol 68.24
    isopropyl acetate 1254.74
    DMAc 1129.92
    2-ethoxyethanol 685.19
    isopentanol 1087.15
    n-heptane 316.62
    ethyl formate 398.9
    1,2-dichloroethane 1154.2
    n-hexanol 1229.48
    2-methoxyethanol 532.41
    isobutyl acetate 942.24
    tetrachloromethane 418.6
    n-pentyl acetate 1170.36
    transcutol 2556.98
    n-heptanol 682.95
    ethylbenzene 1017.01
    MIBK 955.05
    2-propoxyethanol 1032.67
    tert-butanol 1117.28
    MTBE 2529.36
    2-butoxyethanol 798.36
    propionic acid 274.57
    o-xylene 799.57
    formic acid 37.28
    diethyl ether 1766.77
    m-xylene 863.15
    p-xylene 1215.45
    chlorobenzene 877.38
    dimethyl carbonate 161.32
    n-octane 157.75
    formamide 64.45
    cyclopentanone 1056.72
    2-pentanone 1155.83
    anisole 1119.93
    cyclopentyl methyl ether 1383.21
    gamma-butyrolactone 815.02
    1-methoxy-2-propanol 635.09
    pyridine 1115.61
    3-pentanone 868.38
    furfural 644.15
    n-dodecane 96.52
    diethylene glycol 280.15
    diisopropyl ether 849.21
    tert-amyl alcohol 1657.65
    acetylacetone 838.45
    n-hexadecane 112.55
    acetophenone 879.28
    methyl propionate 693.95
    isopentyl acetate 1686.21
    trichloroethylene 1926.82
    n-nonanol 659.45
    cyclohexanol 1023.35
    benzyl alcohol 605.2
    2-ethylhexanol 1002.42
    isooctanol 643.86
    dipropyl ether 1090.25
    1,2-dichlorobenzene 824.95
    ethyl lactate 283.27
    propylene carbonate 632.32
    n-methylformamide 169.5
    2-pentanol 1010.75
    n-pentane 354.01
    1-propoxy-2-propanol 983.29
    1-methoxy-2-propyl acetate 1058.15
    2-(2-methoxypropoxy) propanol 825.56
    mesitylene 539.7
    ε-caprolactone 1542.48
    p-cymene 518.87
    epichlorohydrin 1375.06
    1,1,1-trichloroethane 1613.49
    2-aminoethanol 88.02
    morpholine-4-carbaldehyde 899.12
    sulfolane 757.74
    2,2,4-trimethylpentane 273.83
    2-methyltetrahydrofuran 2333.87
    n-hexyl acetate 1591.48
    isooctane 185.2
    2-(2-butoxyethoxy)ethanol 1039.94
    sec-butyl acetate 1143.0
    tert-butyl acetate 1334.46
    decalin 392.19
    glycerin 72.4
    diglyme 1658.81
    acrylic acid 138.75
    isopropyl myristate 614.67
    n-butyric acid 814.15
    acetyl acetate 621.45
    di(2-ethylhexyl) phthalate 451.67
    ethyl propionate 983.22
    nitromethane 358.31
    1,2-diethoxyethane 1626.19
    benzonitrile 635.36
    trioctyl phosphate 328.73
    1-bromopropane 1403.46
    gamma-valerolactone 1253.84
    n-decanol 468.32
    triethyl phosphate 406.25
    4-methyl-2-pentanol 692.22
    propionitrile 492.58
    vinylene carbonate 490.87
    1,1,2-trichlorotrifluoroethane 538.27
    DMS 602.27
    cumene 659.0
    2-octanol 625.52
    2-hexanone 1198.65
    octyl acetate 743.9
    limonene 834.14
    1,2-dimethoxyethane 1408.49
    ethyl orthosilicate 473.0
    tributyl phosphate 407.97
    diacetone alcohol 856.28
    N,N-dimethylaniline 847.11
    acrylonitrile 335.77
    aniline 624.6
    1,3-propanediol 246.2
    bromobenzene 1104.2
    dibromomethane 1592.6
    1,1,2,2-tetrachloroethane 1785.04
    2-methyl-cyclohexyl acetate 1001.56
    tetrabutyl urea 513.13
    diisobutyl methanol 528.34
    2-phenylethanol 808.97
    styrene 984.21
    dioctyl adipate 734.13
    dimethyl sulfate 191.88
    ethyl butyrate 1157.46
    methyl lactate 168.69
    butyl lactate 598.14
    diethyl carbonate 635.33
    propanediol butyl ether 541.43
    triethyl orthoformate 755.04
    p-tert-butyltoluene 494.84
    methyl 4-tert-butylbenzoate 822.06
    morpholine 1743.29
    tert-butylamine 931.97
    n-dodecanol 344.3
    dimethoxymethane 576.62
    ethylene carbonate 460.14
    cyrene 541.01
    2-ethoxyethyl acetate 1082.84
    2-ethylhexyl acetate 1425.92
    1,2,4-trichlorobenzene 922.1
    4-methylpyridine 1564.84
    dibutyl ether 1270.1
    2,6-dimethyl-4-heptanol 528.34
    DEF 1118.47
    dimethyl isosorbide 1288.43
    tetrachloroethylene 1033.35
    eugenol 657.95
    triacetin 901.16
    span 80 801.4
    1,4-butanediol 133.55
    1,1-dichloroethane 1488.88
    2-methyl-1-pentanol 1204.46
    methyl formate 116.85
    2-methyl-1-butanol 1068.45
    n-decane 193.43
    butyronitrile 835.1
    3,7-dimethyl-1-octanol 868.98
    1-chlorooctane 663.93
    1-chlorotetradecane 246.57
    n-nonane 198.17
    undecane 128.4
    tert-butylcyclohexane 387.25
    cyclooctane 236.33
    cyclopentanol 657.07
    tetrahydropyran 2437.01
    tert-amyl methyl ether 1923.91
    2,5,8-trioxanonane 1080.1
    1-hexene 1489.53
    2-isopropoxyethanol 728.53
    2,2,2-trifluoroethanol 60.06
    methyl butyrate 1198.84

    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