Ethyl 3-methylpentanoate

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  • Identifiers

    CAS number
    5870-68-8

    Molecular formula
    C8H16O2

    SMILES
    CCC(C)CC(=O)OCC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 97.29%
    Apple 70.76%
    Pineapple 63.69%
    Sweet 55.01%
    Banana 53.26%
    Tropical 47.82%
    Green 45.57%
    Pear 41.13%
    Ripe 41.06%
    Ethereal 39.85%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 155.00 to 156.00 °C. @ 760.00 mm Hg

    Flash point est.
    46.37 ˚C

  • Synonyms

    • Ethyl 3-methylpentanoate
    • Ethyl 3-methylvalerate
    • 5870-68-8
    • Pentanoic acid, 3-methyl-, ethyl ester
    • Ethyl beta-methylvalerate
    • Valeric acid, 3-methyl-, ethyl ester
    • FEMA No. 3679
    • UNII-0D51CRF76E
    • 0D51CRF76E
    • Ethyl .beta.-methylvalerate
    • EINECS 227-524-4
    • 3-Methylvaleric Acid Ethyl Ester
    • 3-Methylpentanoic acid, ethyl ester
    • DTXSID00863637
    • ETHYL 3-METHYLPENTANOATE [FHFI]
    • (+/-)-ETHYL 3-METHYLPENTANOATE
    • MFCD00041390
    • Ethyl beta -methylvalerate
    • SCHEMBL1456349
    • FEMA 3679
    • DTXCID60812227
    • CHEBI:179931
    • Ethyl (+/-)-3-methylpentanoate
    • 3-Methylpentanoic Acid Ethyl Ester
    • LMFA07010864
    • AKOS015841693
    • CS-W016385
    • HY-W015669
    • LS-13509
    • DB-114495
    • E0803
    • NS00046726
    • D78451
    • Q27236633

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2619.22
    methanol 3263.81
    isopropanol 2620.92
    water 3.28
    ethyl acetate 688.93
    n-propanol 2071.05
    acetone 1281.26
    n-butanol 1751.84
    acetonitrile 1288.01
    DMF 1437.5
    toluene 425.93
    isobutanol 1504.66
    1,4-dioxane 1917.04
    methyl acetate 675.22
    THF 2097.25
    2-butanone 833.18
    n-pentanol 1147.05
    sec-butanol 1892.78
    n-hexane 324.16
    ethylene glycol 398.01
    NMP 1102.37
    cyclohexane 550.09
    DMSO 1270.88
    n-butyl acetate 734.11
    n-octanol 562.11
    chloroform 3673.49
    n-propyl acetate 418.79
    acetic acid 1892.33
    dichloromethane 2273.32
    cyclohexanone 1574.68
    propylene glycol 770.01
    isopropyl acetate 401.77
    DMAc 869.14
    2-ethoxyethanol 821.6
    isopentanol 1251.09
    n-heptane 153.35
    ethyl formate 633.07
    1,2-dichloroethane 1111.99
    n-hexanol 1306.44
    2-methoxyethanol 1594.98
    isobutyl acetate 300.94
    tetrachloromethane 511.35
    n-pentyl acetate 423.78
    transcutol 1708.21
    n-heptanol 450.54
    ethylbenzene 287.31
    MIBK 385.01
    2-propoxyethanol 1178.54
    tert-butanol 2306.19
    MTBE 1039.44
    2-butoxyethanol 596.73
    propionic acid 1129.94
    o-xylene 284.11
    formic acid 461.19
    diethyl ether 862.52
    m-xylene 268.8
    p-xylene 407.86
    chlorobenzene 754.9
    dimethyl carbonate 149.35
    n-octane 60.82
    formamide 420.38
    cyclopentanone 1305.94
    2-pentanone 670.44
    anisole 475.03
    cyclopentyl methyl ether 789.41
    gamma-butyrolactone 1345.33
    1-methoxy-2-propanol 1132.67
    pyridine 1606.19
    3-pentanone 417.62
    furfural 1221.51
    n-dodecane 52.11
    diethylene glycol 772.03
    diisopropyl ether 224.56
    tert-amyl alcohol 1668.72
    acetylacetone 555.16
    n-hexadecane 58.27
    acetophenone 403.81
    methyl propionate 428.43
    isopentyl acetate 643.34
    trichloroethylene 2184.72
    n-nonanol 440.35
    cyclohexanol 1653.4
    benzyl alcohol 549.71
    2-ethylhexanol 600.17
    isooctanol 348.13
    dipropyl ether 444.3
    1,2-dichlorobenzene 591.35
    ethyl lactate 248.8
    propylene carbonate 791.4
    n-methylformamide 839.58
    2-pentanol 1091.94
    n-pentane 262.56
    1-propoxy-2-propanol 835.84
    1-methoxy-2-propyl acetate 459.89
    2-(2-methoxypropoxy) propanol 514.55
    mesitylene 187.47
    ε-caprolactone 1181.71
    p-cymene 198.03
    epichlorohydrin 1398.34
    1,1,1-trichloroethane 1338.25
    2-aminoethanol 967.15
    morpholine-4-carbaldehyde 1081.96
    sulfolane 1351.99
    2,2,4-trimethylpentane 106.29
    2-methyltetrahydrofuran 1558.55
    n-hexyl acetate 703.05
    isooctane 79.28
    2-(2-butoxyethoxy)ethanol 693.09
    sec-butyl acetate 286.06
    tert-butyl acetate 419.66
    decalin 155.0
    glycerin 704.69
    diglyme 1050.6
    acrylic acid 873.15
    isopropyl myristate 242.5
    n-butyric acid 1646.17
    acetyl acetate 389.76
    di(2-ethylhexyl) phthalate 256.96
    ethyl propionate 311.89
    nitromethane 1445.1
    1,2-diethoxyethane 563.91
    benzonitrile 852.95
    trioctyl phosphate 197.71
    1-bromopropane 955.21
    gamma-valerolactone 1561.02
    n-decanol 307.61
    triethyl phosphate 195.0
    4-methyl-2-pentanol 491.33
    propionitrile 1116.47
    vinylene carbonate 743.95
    1,1,2-trichlorotrifluoroethane 1104.34
    DMS 323.01
    cumene 203.63
    2-octanol 365.62
    2-hexanone 562.84
    octyl acetate 324.82
    limonene 347.49
    1,2-dimethoxyethane 1315.74
    ethyl orthosilicate 192.49
    tributyl phosphate 231.68
    diacetone alcohol 581.68
    N,N-dimethylaniline 320.1
    acrylonitrile 1133.22
    aniline 695.37
    1,3-propanediol 1240.01
    bromobenzene 760.65
    dibromomethane 1706.76
    1,1,2,2-tetrachloroethane 2008.86
    2-methyl-cyclohexyl acetate 360.19
    tetrabutyl urea 283.0
    diisobutyl methanol 301.63
    2-phenylethanol 566.78
    styrene 380.28
    dioctyl adipate 342.58
    dimethyl sulfate 246.12
    ethyl butyrate 386.89
    methyl lactate 318.6
    butyl lactate 365.7
    diethyl carbonate 272.05
    propanediol butyl ether 700.26
    triethyl orthoformate 290.09
    p-tert-butyltoluene 196.43
    methyl 4-tert-butylbenzoate 404.96
    morpholine 2374.65
    tert-butylamine 1445.94
    n-dodecanol 231.02
    dimethoxymethane 560.41
    ethylene carbonate 626.08
    cyrene 394.06
    2-ethoxyethyl acetate 423.74
    2-ethylhexyl acetate 460.53
    1,2,4-trichlorobenzene 675.47
    4-methylpyridine 1307.82
    dibutyl ether 456.19
    2,6-dimethyl-4-heptanol 301.63
    DEF 695.49
    dimethyl isosorbide 653.94
    tetrachloroethylene 1270.81
    eugenol 422.72
    triacetin 459.76
    span 80 598.17
    1,4-butanediol 523.08
    1,1-dichloroethane 1593.08
    2-methyl-1-pentanol 868.23
    methyl formate 543.62
    2-methyl-1-butanol 1196.03
    n-decane 90.77
    butyronitrile 1329.4
    3,7-dimethyl-1-octanol 483.77
    1-chlorooctane 312.92
    1-chlorotetradecane 119.83
    n-nonane 96.66
    undecane 65.71
    tert-butylcyclohexane 142.29
    cyclooctane 115.81
    cyclopentanol 1641.48
    tetrahydropyran 2081.79
    tert-amyl methyl ether 639.03
    2,5,8-trioxanonane 745.96
    1-hexene 803.2
    2-isopropoxyethanol 554.75
    2,2,2-trifluoroethanol 366.46
    methyl butyrate 531.4

    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