Methyl 2-ethylhexanoate

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  • Identifiers

    CAS number
    816-19-3

    Molecular formula
    C9H18O2

    SMILES
    CCCCC(CC)C(=O)OC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fruity 94.09%
    Herbal 65.9%
    Fatty 57.25%
    Apple 49.96%
    Oily 48.57%
    Woody 44.62%
    Sweet 42.84%
    Green 42.53%
    Waxy 42.04%
    Winey 38.3%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    177°C

    Flash point est.
    64.36 ˚C

  • Synonyms

    • Methyl 2-ethylhexanoate
    • 816-19-3
    • Hexanoic acid,2-ethyl-, methyl ester
    • Hexanoic acid, 2-ethyl-, methyl ester
    • 2-Ethylhexanoic Acid Methyl Ester
    • 2-Ethyl-methyl ester hexanoic acid
    • EINECS 212-429-2
    • UNII-3100891M19
    • AI3-33653
    • CHEMBL1762665
    • DTXSID9052559
    • KICUISADAVMYCJ-UHFFFAOYSA-
    • EC 212-429-2
    • Methyl ester of 2-ethylhexanoic acid
    • 3100891M19
    • Methyl-2-Butyl-Butyrate
    • MFCD00043849
    • methyl 2 ethylhexanoate
    • methyl 2-ethyl hexanoate
    • SCHEMBL49923
    • 2-Ethylhexanoic acid methylester
    • DTXCID0031132
    • BDBM50340083
    • AKOS009513282
    • AS-76678
    • DB-171899
    • NS00001346
    • D93232
    • EN300-170600
    • Q27255986
    • 212-429-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10300.47
    methanol 10373.63
    isopropanol 9650.97
    water 2.28
    ethyl acetate 5698.69
    n-propanol 8634.46
    acetone 8817.33
    n-butanol 6788.05
    acetonitrile 9494.68
    DMF 6526.66
    toluene 2491.68
    isobutanol 6771.26
    1,4-dioxane 8913.87
    methyl acetate 5449.06
    THF 8075.4
    2-butanone 6517.77
    n-pentanol 4521.73
    sec-butanol 8112.09
    n-hexane 1049.83
    ethylene glycol 915.6
    NMP 4833.8
    cyclohexane 2159.65
    DMSO 5083.81
    n-butyl acetate 5160.34
    n-octanol 1977.9
    chloroform 18519.14
    n-propyl acetate 3702.79
    acetic acid 6523.36
    dichloromethane 15477.13
    cyclohexanone 9733.75
    propylene glycol 1599.42
    isopropyl acetate 3086.34
    DMAc 3346.8
    2-ethoxyethanol 3787.84
    isopentanol 5399.4
    n-heptane 536.24
    ethyl formate 4616.82
    1,2-dichloroethane 8565.46
    n-hexanol 4301.79
    2-methoxyethanol 5975.14
    isobutyl acetate 2004.84
    tetrachloromethane 3154.72
    n-pentyl acetate 2853.32
    transcutol 6741.97
    n-heptanol 1825.57
    ethylbenzene 1361.94
    MIBK 2409.31
    2-propoxyethanol 4422.56
    tert-butanol 8957.72
    MTBE 6622.08
    2-butoxyethanol 2586.48
    propionic acid 5254.71
    o-xylene 1338.13
    formic acid 1414.33
    diethyl ether 6255.75
    m-xylene 1362.22
    p-xylene 1892.49
    chlorobenzene 4575.95
    dimethyl carbonate 888.54
    n-octane 248.59
    formamide 2211.6
    cyclopentanone 7432.49
    2-pentanone 4787.67
    anisole 2394.16
    cyclopentyl methyl ether 4031.36
    gamma-butyrolactone 8389.3
    1-methoxy-2-propanol 3870.78
    pyridine 8976.78
    3-pentanone 2805.23
    furfural 5698.19
    n-dodecane 168.6
    diethylene glycol 2106.58
    diisopropyl ether 1453.73
    tert-amyl alcohol 7341.68
    acetylacetone 3399.17
    n-hexadecane 199.69
    acetophenone 1984.54
    methyl propionate 3101.0
    isopentyl acetate 3826.69
    trichloroethylene 15088.19
    n-nonanol 1557.63
    cyclohexanol 6771.87
    benzyl alcohol 2176.57
    2-ethylhexanol 2250.9
    isooctanol 1429.3
    dipropyl ether 2142.86
    1,2-dichlorobenzene 3255.65
    ethyl lactate 995.32
    propylene carbonate 4355.95
    n-methylformamide 4785.32
    2-pentanol 4548.01
    n-pentane 932.2
    1-propoxy-2-propanol 3142.14
    1-methoxy-2-propyl acetate 2216.39
    2-(2-methoxypropoxy) propanol 1324.86
    mesitylene 876.03
    ε-caprolactone 6908.19
    p-cymene 831.9
    epichlorohydrin 9110.12
    1,1,1-trichloroethane 9358.32
    2-aminoethanol 2701.29
    morpholine-4-carbaldehyde 4578.26
    sulfolane 6624.8
    2,2,4-trimethylpentane 427.51
    2-methyltetrahydrofuran 8333.01
    n-hexyl acetate 3389.76
    isooctane 328.74
    2-(2-butoxyethoxy)ethanol 2079.22
    sec-butyl acetate 2126.62
    tert-butyl acetate 2702.82
    decalin 568.56
    glycerin 1420.0
    diglyme 4032.19
    acrylic acid 3683.64
    isopropyl myristate 965.69
    n-butyric acid 7514.44
    acetyl acetate 2420.26
    di(2-ethylhexyl) phthalate 745.61
    ethyl propionate 2301.89
    nitromethane 8632.06
    1,2-diethoxyethane 3365.88
    benzonitrile 4547.95
    trioctyl phosphate 647.11
    1-bromopropane 6484.38
    gamma-valerolactone 7878.27
    n-decanol 998.27
    triethyl phosphate 734.6
    4-methyl-2-pentanol 1839.31
    propionitrile 7692.97
    vinylene carbonate 4103.24
    1,1,2-trichlorotrifluoroethane 4646.82
    DMS 1489.57
    cumene 836.47
    2-octanol 1520.6
    2-hexanone 3505.47
    octyl acetate 1301.69
    limonene 1439.41
    1,2-dimethoxyethane 6355.57
    ethyl orthosilicate 748.75
    tributyl phosphate 800.79
    diacetone alcohol 2442.99
    N,N-dimethylaniline 1279.33
    acrylonitrile 7458.67
    aniline 3340.0
    1,3-propanediol 3765.6
    bromobenzene 4901.68
    dibromomethane 10712.38
    1,1,2,2-tetrachloroethane 11445.62
    2-methyl-cyclohexyl acetate 1477.29
    tetrabutyl urea 951.6
    diisobutyl methanol 1094.03
    2-phenylethanol 1964.78
    styrene 1973.93
    dioctyl adipate 1183.0
    dimethyl sulfate 1257.8
    ethyl butyrate 2421.58
    methyl lactate 1118.15
    butyl lactate 1646.21
    diethyl carbonate 1441.28
    propanediol butyl ether 2153.7
    triethyl orthoformate 1385.63
    p-tert-butyltoluene 779.35
    methyl 4-tert-butylbenzoate 1403.34
    morpholine 11302.31
    tert-butylamine 5896.64
    n-dodecanol 700.18
    dimethoxymethane 2805.89
    ethylene carbonate 3796.0
    cyrene 1153.75
    2-ethoxyethyl acetate 2479.69
    2-ethylhexyl acetate 2683.19
    1,2,4-trichlorobenzene 3464.58
    4-methylpyridine 7821.33
    dibutyl ether 2250.05
    2,6-dimethyl-4-heptanol 1094.03
    DEF 4609.23
    dimethyl isosorbide 2097.66
    tetrachloroethylene 7765.17
    eugenol 1359.71
    triacetin 1718.15
    span 80 1557.22
    1,4-butanediol 1620.35
    1,1-dichloroethane 11806.87
    2-methyl-1-pentanol 3727.79
    methyl formate 3301.36
    2-methyl-1-butanol 5305.06
    n-decane 337.33
    butyronitrile 8706.48
    3,7-dimethyl-1-octanol 1676.49
    1-chlorooctane 1393.04
    1-chlorotetradecane 442.64
    n-nonane 369.96
    undecane 225.18
    tert-butylcyclohexane 520.05
    cyclooctane 436.42
    cyclopentanol 6572.39
    tetrahydropyran 11085.52
    tert-amyl methyl ether 3479.74
    2,5,8-trioxanonane 2031.0
    1-hexene 3304.96
    2-isopropoxyethanol 2523.59
    2,2,2-trifluoroethanol 1418.91
    methyl butyrate 4138.71

    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