4-Ethylheptanoic acid

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  • Identifiers

    CAS number
    132735-95-6

    Molecular formula
    C9H18O2

    SMILES
    CCCC(CC)CCC(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fatty 84.2%
    Cheesy 69.6%
    Waxy 60.54%
    Dairy 57.02%
    Sour 50.02%
    Milky 49.21%
    Sweaty 44.74%
    Creamy 43.45%
    Oily 41.68%
    Meaty 33.87%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.5 (weak base)

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    247°C

    Flash point est.
    109.65 ˚C

  • Synonyms

    • 4-ethylheptanoic acid
    • Heptanoic acid, 4-ethyl-
    • 132735-95-6
    • DTXSID70613808
    • SCHEMBL2207451
    • DTXCID70564563
    • RCVXVULZIOSNEI-UHFFFAOYSA-N
    • AKOS006278823
    • EN300-25387785
    • 864-257-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1759.55
    methanol 2829.21
    isopropanol 933.46
    water 1.8
    ethyl acetate 825.04
    n-propanol 1197.36
    acetone 1805.26
    n-butanol 964.29
    acetonitrile 440.91
    DMF 2084.39
    toluene 202.31
    isobutanol 889.09
    1,4-dioxane 758.91
    methyl acetate 541.93
    THF 2891.98
    2-butanone 1007.11
    n-pentanol 701.38
    sec-butanol 735.45
    n-hexane 107.59
    ethylene glycol 463.05
    NMP 2448.37
    cyclohexane 59.44
    DMSO 4537.61
    n-butyl acetate 1016.0
    n-octanol 270.06
    chloroform 524.65
    n-propyl acetate 645.44
    acetic acid 1003.25
    dichloromethane 610.86
    cyclohexanone 1796.09
    propylene glycol 604.34
    isopropyl acetate 646.87
    DMAc 1110.34
    2-ethoxyethanol 953.48
    isopentanol 949.92
    n-heptane 32.95
    ethyl formate 559.64
    1,2-dichloroethane 754.51
    n-hexanol 877.82
    2-methoxyethanol 1879.88
    isobutyl acetate 417.93
    tetrachloromethane 174.28
    n-pentyl acetate 441.59
    transcutol 3179.79
    n-heptanol 318.12
    ethylbenzene 154.7
    MIBK 711.14
    2-propoxyethanol 1479.08
    tert-butanol 1336.73
    MTBE 794.6
    2-butoxyethanol 646.63
    propionic acid 923.71
    o-xylene 170.98
    formic acid 539.73
    diethyl ether 480.16
    m-xylene 231.52
    p-xylene 184.42
    chlorobenzene 326.33
    dimethyl carbonate 251.84
    n-octane 12.23
    formamide 844.82
    cyclopentanone 2872.74
    2-pentanone 1128.66
    anisole 381.82
    cyclopentyl methyl ether 1326.26
    gamma-butyrolactone 2657.03
    1-methoxy-2-propanol 1462.97
    pyridine 626.14
    3-pentanone 551.11
    furfural 1511.2
    n-dodecane 7.75
    diethylene glycol 905.01
    diisopropyl ether 230.94
    tert-amyl alcohol 1092.14
    acetylacetone 1171.62
    n-hexadecane 9.19
    acetophenone 402.71
    methyl propionate 700.67
    isopentyl acetate 893.46
    trichloroethylene 1198.16
    n-nonanol 217.0
    cyclohexanol 867.07
    benzyl alcohol 403.74
    2-ethylhexanol 446.59
    isooctanol 263.55
    dipropyl ether 360.22
    1,2-dichlorobenzene 366.58
    ethyl lactate 285.9
    propylene carbonate 1078.89
    n-methylformamide 1447.14
    2-pentanol 597.4
    n-pentane 44.06
    1-propoxy-2-propanol 1013.23
    1-methoxy-2-propyl acetate 884.42
    2-(2-methoxypropoxy) propanol 525.42
    mesitylene 166.21
    ε-caprolactone 1444.39
    p-cymene 118.12
    epichlorohydrin 2125.2
    1,1,1-trichloroethane 584.1
    2-aminoethanol 984.78
    morpholine-4-carbaldehyde 1491.45
    sulfolane 4157.33
    2,2,4-trimethylpentane 42.06
    2-methyltetrahydrofuran 2051.2
    n-hexyl acetate 650.36
    isooctane 39.59
    2-(2-butoxyethoxy)ethanol 891.06
    sec-butyl acetate 432.91
    tert-butyl acetate 891.77
    decalin 54.06
    glycerin 702.2
    diglyme 1303.28
    acrylic acid 674.86
    isopropyl myristate 167.79
    n-butyric acid 1320.77
    acetyl acetate 380.85
    di(2-ethylhexyl) phthalate 198.61
    ethyl propionate 486.48
    nitromethane 1542.31
    1,2-diethoxyethane 659.06
    benzonitrile 432.66
    trioctyl phosphate 167.44
    1-bromopropane 312.63
    gamma-valerolactone 2524.97
    n-decanol 151.82
    triethyl phosphate 173.95
    4-methyl-2-pentanol 405.19
    propionitrile 471.56
    vinylene carbonate 712.55
    1,1,2-trichlorotrifluoroethane 1277.04
    DMS 398.26
    cumene 127.94
    2-octanol 209.47
    2-hexanone 778.8
    octyl acetate 234.07
    limonene 203.92
    1,2-dimethoxyethane 1154.69
    ethyl orthosilicate 181.48
    tributyl phosphate 228.03
    diacetone alcohol 1257.79
    N,N-dimethylaniline 271.16
    acrylonitrile 568.31
    aniline 451.25
    1,3-propanediol 1142.29
    bromobenzene 296.98
    dibromomethane 404.62
    1,1,2,2-tetrachloroethane 1047.03
    2-methyl-cyclohexyl acetate 379.67
    tetrabutyl urea 269.15
    diisobutyl methanol 238.6
    2-phenylethanol 459.71
    styrene 166.9
    dioctyl adipate 285.29
    dimethyl sulfate 604.3
    ethyl butyrate 493.77
    methyl lactate 421.66
    butyl lactate 470.35
    diethyl carbonate 243.05
    propanediol butyl ether 776.93
    triethyl orthoformate 302.98
    p-tert-butyltoluene 124.2
    methyl 4-tert-butylbenzoate 391.42
    morpholine 1338.19
    tert-butylamine 705.47
    n-dodecanol 101.46
    dimethoxymethane 957.4
    ethylene carbonate 632.94
    cyrene 493.19
    2-ethoxyethyl acetate 612.18
    2-ethylhexyl acetate 648.27
    1,2,4-trichlorobenzene 440.79
    4-methylpyridine 740.53
    dibutyl ether 260.3
    2,6-dimethyl-4-heptanol 238.6
    DEF 1072.09
    dimethyl isosorbide 904.57
    tetrachloroethylene 737.91
    eugenol 401.94
    triacetin 435.11
    span 80 489.5
    1,4-butanediol 446.79
    1,1-dichloroethane 545.64
    2-methyl-1-pentanol 687.81
    methyl formate 732.33
    2-methyl-1-butanol 859.49
    n-decane 15.59
    butyronitrile 578.9
    3,7-dimethyl-1-octanol 323.78
    1-chlorooctane 122.49
    1-chlorotetradecane 32.61
    n-nonane 15.88
    undecane 10.64
    tert-butylcyclohexane 63.88
    cyclooctane 22.65
    cyclopentanol 1304.22
    tetrahydropyran 996.41
    tert-amyl methyl ether 598.33
    2,5,8-trioxanonane 761.95
    1-hexene 316.99
    2-isopropoxyethanol 675.71
    2,2,2-trifluoroethanol 324.94
    methyl butyrate 775.63

    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