2-Ethylhexyl valerate

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  • Identifiers

    CAS number
    5451-87-6

    Molecular formula
    C13H26O2

    SMILES
    CCCCC(CC)COC(=O)CCCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 88.3%
    Oily 59.29%
    Herbal 56.13%
    Fatty 49.12%
    Winey 42.38%
    Apple 38.25%
    Sweet 31.48%
    Fermented 29.31%
    Waxy 27.53%
    Green 24.58%

     

    Flavor
    Fruity 72.82%
    Green 63.34%
    Waxy 47.51%
    Herbal 43.32%
    Oily 40.92%
    Sweet 39.87%
    Apple 38.65%
    Tropical 37.75%
    Floral 34.06%
    Pear 32.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    8.06 (weak base)

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 103.01 ˚C est.

  • Synonyms

    • 2-Ethylhexyl valerate
    • 5451-87-6
    • EINECS 226-688-4
    • NSC 21872
    • RefChem:86993
    • 226-688-4
    • 2-Ethylhexyl pentanoate
    • Pentanoic acid, 2-ethylhexyl ester
    • pentanoic acid 2-ethylhexyl ester
    • Valeric acid, 2-ethylhexyl ester
    • starbld0008639
    • 2-Ethylhexyl pentanoate #
    • orb2664737
    • SCHEMBL3849332
    • SCHEMBL11249590
    • DTXSID201314822
    • FAA45187
    • NSC21872
    • MFCD32687844
    • NSC-21872
    • AS-77145
    • NS00043956
    • D93499
    • 5451-87-6

  • Applications

    2-Ethylhexyl valerate is widely used as a non-phthalate plasticizer for PVC and other polymers, improving flexibility of films, coatings, and adhesives. It also serves as a processing solvent and carrier in coatings, inks, and adhesive formulations. In perfumery, cosmetics, and personal care, it functions as a fragrance ingredient and fixative, contributing fruity notes and aiding formulation. It can be used as a solvent or carrier for flavors and fragrance ingredients in flavor and fragrance formulations. Additionally, it may be employed as an intermediate in organic synthesis within chemical manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8767.96
    methanol 6920.78
    isopropanol 8145.85
    water 0.13
    ethyl acetate 9437.28
    n-propanol 6962.22
    acetone 11543.52
    n-butanol 6658.49
    acetonitrile 6941.2
    DMF 6452.91
    toluene 3176.4
    isobutanol 5770.62
    1,4-dioxane 7629.98
    methyl acetate 5643.76
    THF 9773.2
    2-butanone 8534.34
    n-pentanol 4285.89
    sec-butanol 7044.51
    n-hexane 1892.68
    ethylene glycol 304.6
    NMP 4332.94
    cyclohexane 3156.07
    DMSO 5825.04
    n-butyl acetate 8419.71
    n-octanol 1878.89
    chloroform 12583.8
    n-propyl acetate 5766.42
    acetic acid 3596.17
    dichloromethane 11993.14
    cyclohexanone 12077.83
    propylene glycol 808.8
    isopropyl acetate 6099.07
    DMAc 4074.16
    2-ethoxyethanol 3197.27
    isopentanol 6000.85
    n-heptane 758.92
    ethyl formate 4134.92
    1,2-dichloroethane 9150.74
    n-hexanol 4605.44
    2-methoxyethanol 4845.83
    isobutyl acetate 3247.04
    tetrachloromethane 2126.46
    n-pentyl acetate 4188.25
    transcutol 9112.12
    n-heptanol 1762.86
    ethylbenzene 1811.46
    MIBK 4095.55
    2-propoxyethanol 4376.36
    tert-butanol 8327.56
    MTBE 9690.52
    2-butoxyethanol 2508.5
    propionic acid 3211.07
    o-xylene 1770.05
    formic acid 539.78
    diethyl ether 9332.19
    m-xylene 1840.95
    p-xylene 2503.31
    chlorobenzene 4647.78
    dimethyl carbonate 876.18
    n-octane 327.33
    formamide 956.11
    cyclopentanone 8045.5
    2-pentanone 7926.11
    anisole 2724.2
    cyclopentyl methyl ether 5595.86
    gamma-butyrolactone 6772.94
    1-methoxy-2-propanol 4061.59
    pyridine 8534.55
    3-pentanone 4373.9
    furfural 4835.15
    n-dodecane 184.62
    diethylene glycol 1704.2
    diisopropyl ether 2556.99
    tert-amyl alcohol 6677.79
    acetylacetone 5638.14
    n-hexadecane 224.55
    acetophenone 2466.75
    methyl propionate 4100.32
    isopentyl acetate 6800.62
    trichloroethylene 13393.99
    n-nonanol 1504.32
    cyclohexanol 6404.0
    benzyl alcohol 2048.39
    2-ethylhexanol 2981.49
    isooctanol 1577.63
    dipropyl ether 3981.37
    1,2-dichlorobenzene 3476.84
    ethyl lactate 1144.4
    propylene carbonate 4160.71
    n-methylformamide 2862.47
    2-pentanol 5292.0
    n-pentane 1303.43
    1-propoxy-2-propanol 3991.45
    1-methoxy-2-propyl acetate 3802.72
    2-(2-methoxypropoxy) propanol 1806.09
    mesitylene 1200.45
    ε-caprolactone 8490.58
    p-cymene 1078.09
    epichlorohydrin 8723.53
    1,1,1-trichloroethane 8702.63
    2-aminoethanol 1200.43
    morpholine-4-carbaldehyde 4283.32
    sulfolane 5684.76
    2,2,4-trimethylpentane 477.11
    2-methyltetrahydrofuran 9865.29
    n-hexyl acetate 4653.27
    isooctane 405.61
    2-(2-butoxyethoxy)ethanol 2664.54
    sec-butyl acetate 3903.2
    tert-butyl acetate 4694.63
    decalin 857.13
    glycerin 754.9
    diglyme 5182.08
    acrylic acid 1817.1
    isopropyl myristate 1396.95
    n-butyric acid 7586.86
    acetyl acetate 3608.03
    di(2-ethylhexyl) phthalate 963.8
    ethyl propionate 4159.37
    nitromethane 5744.61
    1,2-diethoxyethane 5579.64
    benzonitrile 3976.52
    trioctyl phosphate 752.9
    1-bromopropane 7313.87
    gamma-valerolactone 8847.59
    n-decanol 963.25
    triethyl phosphate 1068.0
    4-methyl-2-pentanol 2460.08
    propionitrile 5889.57
    vinylene carbonate 3323.68
    1,1,2-trichlorotrifluoroethane 3866.81
    DMS 2018.75
    cumene 1119.92
    2-octanol 1565.72
    2-hexanone 5350.84
    octyl acetate 1647.91
    limonene 2085.31
    1,2-dimethoxyethane 7163.54
    ethyl orthosilicate 1111.71
    tributyl phosphate 1041.21
    diacetone alcohol 3294.96
    N,N-dimethylaniline 1641.69
    acrylonitrile 4958.8
    aniline 3060.48
    1,3-propanediol 2594.88
    bromobenzene 5176.19
    dibromomethane 9271.19
    1,1,2,2-tetrachloroethane 10728.21
    2-methyl-cyclohexyl acetate 2308.19
    tetrabutyl urea 1239.88
    diisobutyl methanol 1568.98
    2-phenylethanol 2194.98
    styrene 2524.64
    dioctyl adipate 1713.6
    dimethyl sulfate 1127.47
    ethyl butyrate 4279.21
    methyl lactate 1087.4
    butyl lactate 2129.14
    diethyl carbonate 2123.29
    propanediol butyl ether 1936.77
    triethyl orthoformate 2205.02
    p-tert-butyltoluene 1007.15
    methyl 4-tert-butylbenzoate 1771.47
    morpholine 10860.79
    tert-butylamine 5685.65
    n-dodecanol 690.29
    dimethoxymethane 3472.61
    ethylene carbonate 3463.66
    cyrene 1221.95
    2-ethoxyethyl acetate 3574.48
    2-ethylhexyl acetate 4883.54
    1,2,4-trichlorobenzene 3674.67
    4-methylpyridine 8271.98
    dibutyl ether 3925.36
    2,6-dimethyl-4-heptanol 1568.98
    DEF 6428.34
    dimethyl isosorbide 2682.49
    tetrachloroethylene 6661.16
    eugenol 1634.91
    triacetin 2301.04
    span 80 1943.63
    1,4-butanediol 999.2
    1,1-dichloroethane 10940.56
    2-methyl-1-pentanol 3663.87
    methyl formate 1776.14
    2-methyl-1-butanol 5247.63
    n-decane 395.04
    butyronitrile 8159.44
    3,7-dimethyl-1-octanol 1948.2
    1-chlorooctane 1630.58
    1-chlorotetradecane 504.62
    n-nonane 439.13
    undecane 252.0
    tert-butylcyclohexane 716.46
    cyclooctane 675.72
    cyclopentanol 5103.57
    tetrahydropyran 13443.27
    tert-amyl methyl ether 5042.43
    2,5,8-trioxanonane 2846.42
    1-hexene 5467.38
    2-isopropoxyethanol 2580.34
    2,2,2-trifluoroethanol 721.94
    methyl butyrate 6732.05

    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