2-Pentyl valerianate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    89155-38-4

    Molecular formula
    C10H19O2-

    SMILES
    CCCCCC(CCC)C(=O)[O-]

    Safety labels

  • Odor profile

    Fragrance
    Herbal 62.99%
    Oily 43.97%
    Fruity 41.2%
    Fatty 37.58%
    Spicy 37.05%
    Woody 34.3%
    Cheesy 33.76%
    Mint 32.79%
    Fresh 31.96%
    Green 31.34%

     

    Flavor
    Herbal 44.54%
    Oily 25.72%
    Waxy 25.57%
    Mild 25.33%
    Fatty 24.12%
    Green 23.38%
    Bland 22.31%
    Odorless 22.09%
    Woody 21.37%
    Slightly waxy 20.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    5.01 (weak acid)

    Molecular weight
    171.26 g/mol

    Flash point

    • 98.12 ˚C est.

  • Synonyms

    • 2-Pentyl valerianate
    • 89155-38-4
    • RXGPYPPCEXISOV-UHFFFAOYSA-M
    • 89155-38-4

  • Applications

    2-Pentyl valerianate (CAS 89155-38-4) is primarily used as a fragrance ingredient in perfumery and cosmetics, contributing fruity notes in scent formulations. It is commonly evaluated for use as a flavor/aroma additive in food and beverages where permitted by regulations. It also appears in household products as a fragrance component in cleaners, laundry detergents, and air fresheners. In industrial manufacturing, it can serve as an intermediate or bespoke fragrance ingredient for coatings, inks, and adhesives, depending on regulatory limits. As an ester-based aroma compound, its application is driven by formulator needs and subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5080.17
    methanol 6221.15
    isopropanol 4906.2
    water 0.52
    ethyl acetate 3300.19
    n-propanol 4225.44
    acetone 6389.46
    n-butanol 3676.77
    acetonitrile 3494.64
    DMF 6338.77
    toluene 1533.12
    isobutanol 3418.45
    1,4-dioxane 3605.13
    methyl acetate 2415.06
    THF 5502.45
    2-butanone 4076.97
    n-pentanol 2443.26
    sec-butanol 3870.19
    n-hexane 1045.26
    ethylene glycol 605.22
    NMP 4178.33
    cyclohexane 1156.54
    DMSO 5224.41
    n-butyl acetate 3259.65
    n-octanol 936.68
    chloroform 5412.29
    n-propyl acetate 2144.44
    acetic acid 2371.91
    dichloromethane 4877.72
    cyclohexanone 6114.73
    propylene glycol 984.99
    isopropyl acetate 1981.55
    DMAc 2579.48
    2-ethoxyethanol 1846.02
    isopentanol 3182.38
    n-heptane 266.79
    ethyl formate 2132.11
    1,2-dichloroethane 4733.71
    n-hexanol 2627.31
    2-methoxyethanol 3723.47
    isobutyl acetate 1254.65
    tetrachloromethane 1058.41
    n-pentyl acetate 1625.29
    transcutol 5404.82
    n-heptanol 1001.16
    ethylbenzene 900.3
    MIBK 1922.43
    2-propoxyethanol 2803.61
    tert-butanol 4852.85
    MTBE 3677.32
    2-butoxyethanol 1546.23
    propionic acid 2300.9
    o-xylene 888.75
    formic acid 796.28
    diethyl ether 3616.72
    m-xylene 1001.22
    p-xylene 1065.38
    chlorobenzene 2630.56
    dimethyl carbonate 638.34
    n-octane 122.53
    formamide 1380.51
    cyclopentanone 5378.57
    2-pentanone 3681.05
    anisole 1481.65
    cyclopentyl methyl ether 3154.1
    gamma-butyrolactone 4832.56
    1-methoxy-2-propanol 2893.53
    pyridine 3958.35
    3-pentanone 2136.69
    furfural 3522.19
    n-dodecane 69.15
    diethylene glycol 1517.24
    diisopropyl ether 1116.37
    tert-amyl alcohol 3439.24
    acetylacetone 2646.08
    n-hexadecane 83.53
    acetophenone 1287.16
    methyl propionate 2123.6
    isopentyl acetate 2653.3
    trichloroethylene 6848.52
    n-nonanol 763.76
    cyclohexanol 3608.97
    benzyl alcohol 1194.05
    2-ethylhexanol 1405.01
    isooctanol 835.79
    dipropyl ether 1499.81
    1,2-dichlorobenzene 2090.89
    ethyl lactate 650.27
    propylene carbonate 2542.8
    n-methylformamide 3382.6
    2-pentanol 2672.2
    n-pentane 665.78
    1-propoxy-2-propanol 2165.9
    1-methoxy-2-propyl acetate 1904.01
    2-(2-methoxypropoxy) propanol 1028.12
    mesitylene 670.21
    ε-caprolactone 4071.59
    p-cymene 454.23
    epichlorohydrin 4920.03
    1,1,1-trichloroethane 4107.4
    2-aminoethanol 1587.3
    morpholine-4-carbaldehyde 3106.97
    sulfolane 5048.57
    2,2,4-trimethylpentane 237.53
    2-methyltetrahydrofuran 4728.78
    n-hexyl acetate 1966.42
    isooctane 208.72
    2-(2-butoxyethoxy)ethanol 1734.2
    sec-butyl acetate 1365.26
    tert-butyl acetate 2030.85
    decalin 383.05
    glycerin 905.15
    diglyme 2745.26
    acrylic acid 1717.11
    isopropyl myristate 587.55
    n-butyric acid 3728.36
    acetyl acetate 1280.77
    di(2-ethylhexyl) phthalate 504.19
    ethyl propionate 1597.09
    nitromethane 3768.34
    1,2-diethoxyethane 2277.2
    benzonitrile 2119.19
    trioctyl phosphate 404.57
    1-bromopropane 3232.42
    gamma-valerolactone 5132.37
    n-decanol 506.39
    triethyl phosphate 458.92
    4-methyl-2-pentanol 1273.88
    propionitrile 3246.52
    vinylene carbonate 2195.94
    1,1,2-trichlorotrifluoroethane 2676.02
    DMS 1081.56
    cumene 548.2
    2-octanol 802.19
    2-hexanone 2419.19
    octyl acetate 750.42
    limonene 830.45
    1,2-dimethoxyethane 3306.0
    ethyl orthosilicate 491.7
    tributyl phosphate 557.91
    diacetone alcohol 2032.66
    N,N-dimethylaniline 882.29
    acrylonitrile 3371.94
    aniline 1919.7
    1,3-propanediol 2227.8
    bromobenzene 2693.05
    dibromomethane 3884.76
    1,1,2,2-tetrachloroethane 5820.1
    2-methyl-cyclohexyl acetate 974.83
    tetrabutyl urea 682.9
    diisobutyl methanol 736.37
    2-phenylethanol 1308.39
    styrene 1194.12
    dioctyl adipate 745.72
    dimethyl sulfate 1042.18
    ethyl butyrate 1552.75
    methyl lactate 873.64
    butyl lactate 1187.61
    diethyl carbonate 799.86
    propanediol butyl ether 1526.8
    triethyl orthoformate 869.25
    p-tert-butyltoluene 452.74
    methyl 4-tert-butylbenzoate 975.66
    morpholine 5307.0
    tert-butylamine 3367.2
    n-dodecanol 363.43
    dimethoxymethane 2471.68
    ethylene carbonate 1927.3
    cyrene 836.62
    2-ethoxyethyl acetate 1681.26
    2-ethylhexyl acetate 1927.88
    1,2,4-trichlorobenzene 2116.04
    4-methylpyridine 4273.49
    dibutyl ether 1382.18
    2,6-dimethyl-4-heptanol 736.37
    DEF 3565.64
    dimethyl isosorbide 1667.33
    tetrachloroethylene 3629.06
    eugenol 1019.45
    triacetin 1154.27
    span 80 1089.39
    1,4-butanediol 865.75
    1,1-dichloroethane 5127.34
    2-methyl-1-pentanol 2126.85
    methyl formate 1908.95
    2-methyl-1-butanol 2887.66
    n-decane 139.82
    butyronitrile 3756.77
    3,7-dimethyl-1-octanol 1018.39
    1-chlorooctane 702.71
    1-chlorotetradecane 219.93
    n-nonane 155.84
    undecane 93.98
    tert-butylcyclohexane 339.88
    cyclooctane 272.78
    cyclopentanol 3617.43
    tetrahydropyran 5619.81
    tert-amyl methyl ether 2240.93
    2,5,8-trioxanonane 1627.92
    1-hexene 2684.26
    2-isopropoxyethanol 1377.73
    2,2,2-trifluoroethanol 651.1
    methyl butyrate 2572.9

    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