Heptanoic acid, 2-ethyl-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    3274-29-1

    Molecular formula
    C9H18O2

    SMILES
    CCCCCC(CC)C(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fruity 69.8%
    Herbal 64.82%
    Cheesy 62.73%
    Fatty 59.58%
    Oily 51.65%
    Earthy 45.69%
    Sour 45.23%
    Sweet 42.32%
    Waxy 42.24%
    Dairy 40.63%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    238°C

    Flash point est.
    112.18 ˚C

  • Synonyms

    • 2-ETHYLHEPTANOIC ACID
    • 3274-29-1
    • Heptanoic acid, 2-ethyl-
    • xi-2-Ethylheptanoic acid
    • 3-Octanecarboxylic acid
    • EINECS 221-902-2
    • DTXSID40880929
    • 2-ETHYLHEPTANOICACID
    • MFCD02258626
    • octane-3-carboxylic acid
    • SCHEMBL29946
    • CHEBI:179877
    • DTXCID401022271
    • STL280352
    • AKOS010363958
    • AT41186
    • FE35943
    • CS-0232103
    • NS00048200
    • EN300-126300
    • Z756391304
    • 221-902-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5598.67
    methanol 8377.69
    isopropanol 5220.77
    water 1.09
    ethyl acetate 2259.23
    n-propanol 4448.38
    acetone 4954.5
    n-butanol 3533.06
    acetonitrile 2102.02
    DMF 4538.78
    toluene 546.81
    isobutanol 3414.84
    1,4-dioxane 3183.4
    methyl acetate 1590.21
    THF 5367.52
    2-butanone 2703.39
    n-pentanol 2501.34
    sec-butanol 3522.53
    n-hexane 785.88
    ethylene glycol 660.62
    NMP 3568.38
    cyclohexane 552.98
    DMSO 5830.93
    n-butyl acetate 2423.46
    n-octanol 758.96
    chloroform 2668.62
    n-propyl acetate 1683.19
    acetic acid 2499.14
    dichloromethane 2338.47
    cyclohexanone 4182.88
    propylene glycol 1058.4
    isopropyl acetate 1546.08
    DMAc 1710.03
    2-ethoxyethanol 1929.49
    isopentanol 3129.51
    n-heptane 188.02
    ethyl formate 1463.62
    1,2-dichloroethane 2388.98
    n-hexanol 2601.81
    2-methoxyethanol 3645.74
    isobutyl acetate 990.99
    tetrachloromethane 565.89
    n-pentyl acetate 1114.37
    transcutol 4840.0
    n-heptanol 922.14
    ethylbenzene 404.56
    MIBK 1522.05
    2-propoxyethanol 2752.56
    tert-butanol 5122.03
    MTBE 3093.53
    2-butoxyethanol 1394.97
    propionic acid 2217.0
    o-xylene 398.62
    formic acid 897.71
    diethyl ether 2612.25
    m-xylene 483.5
    p-xylene 539.66
    chlorobenzene 1068.8
    dimethyl carbonate 352.95
    n-octane 72.15
    formamide 1383.58
    cyclopentanone 4454.29
    2-pentanone 2695.97
    anisole 795.25
    cyclopentyl methyl ether 2654.47
    gamma-butyrolactone 4368.34
    1-methoxy-2-propanol 2782.23
    pyridine 2151.12
    3-pentanone 1370.81
    furfural 2391.21
    n-dodecane 40.5
    diethylene glycol 1418.74
    diisopropyl ether 867.28
    tert-amyl alcohol 3507.98
    acetylacetone 1799.08
    n-hexadecane 48.2
    acetophenone 716.58
    methyl propionate 1469.29
    isopentyl acetate 1977.22
    trichloroethylene 3324.58
    n-nonanol 623.32
    cyclohexanol 2788.76
    benzyl alcohol 790.14
    2-ethylhexanol 1268.81
    isooctanol 757.62
    dipropyl ether 1232.78
    1,2-dichlorobenzene 972.6
    ethyl lactate 470.09
    propylene carbonate 1834.91
    n-methylformamide 2969.67
    2-pentanol 2476.19
    n-pentane 399.09
    1-propoxy-2-propanol 2080.27
    1-methoxy-2-propyl acetate 1466.31
    2-(2-methoxypropoxy) propanol 786.28
    mesitylene 353.71
    ε-caprolactone 3051.06
    p-cymene 267.91
    epichlorohydrin 3703.44
    1,1,1-trichloroethane 1928.24
    2-aminoethanol 1926.95
    morpholine-4-carbaldehyde 2510.28
    sulfolane 4623.29
    2,2,4-trimethylpentane 170.88
    2-methyltetrahydrofuran 4610.81
    n-hexyl acetate 1372.37
    isooctane 154.32
    2-(2-butoxyethoxy)ethanol 1406.71
    sec-butyl acetate 1053.03
    tert-butyl acetate 1587.62
    decalin 216.18
    glycerin 1020.14
    diglyme 2167.22
    acrylic acid 1537.83
    isopropyl myristate 386.2
    n-butyric acid 3490.0
    acetyl acetate 784.94
    di(2-ethylhexyl) phthalate 355.13
    ethyl propionate 1106.37
    nitromethane 3145.29
    1,2-diethoxyethane 1807.49
    benzonitrile 1139.98
    trioctyl phosphate 311.43
    1-bromopropane 1522.23
    gamma-valerolactone 4321.73
    n-decanol 429.57
    triethyl phosphate 308.06
    4-methyl-2-pentanol 1185.37
    propionitrile 2012.61
    vinylene carbonate 1431.93
    1,1,2-trichlorotrifluoroethane 2014.97
    DMS 612.77
    cumene 298.15
    2-octanol 659.71
    2-hexanone 2016.45
    octyl acetate 513.88
    limonene 523.08
    1,2-dimethoxyethane 2956.0
    ethyl orthosilicate 345.39
    tributyl phosphate 413.34
    diacetone alcohol 1786.94
    N,N-dimethylaniline 538.91
    acrylonitrile 1853.66
    aniline 1128.35
    1,3-propanediol 2481.34
    bromobenzene 979.81
    dibromomethane 1871.61
    1,1,2,2-tetrachloroethane 3260.27
    2-methyl-cyclohexyl acetate 734.91
    tetrabutyl urea 490.84
    diisobutyl methanol 621.75
    2-phenylethanol 907.01
    styrene 512.86
    dioctyl adipate 508.89
    dimethyl sulfate 681.29
    ethyl butyrate 1101.42
    methyl lactate 640.62
    butyl lactate 880.97
    diethyl carbonate 517.88
    propanediol butyl ether 1342.53
    triethyl orthoformate 638.9
    p-tert-butyltoluene 273.88
    methyl 4-tert-butylbenzoate 630.71
    morpholine 4789.39
    tert-butylamine 3464.13
    n-dodecanol 295.55
    dimethoxymethane 1859.92
    ethylene carbonate 1294.31
    cyrene 680.07
    2-ethoxyethyl acetate 1169.24
    2-ethylhexyl acetate 1410.13
    1,2,4-trichlorobenzene 1016.24
    4-methylpyridine 2174.83
    dibutyl ether 952.77
    2,6-dimethyl-4-heptanol 621.75
    DEF 2573.62
    dimethyl isosorbide 1300.75
    tetrachloroethylene 2178.66
    eugenol 669.31
    triacetin 726.75
    span 80 875.36
    1,4-butanediol 978.19
    1,1-dichloroethane 2410.06
    2-methyl-1-pentanol 2006.45
    methyl formate 1433.88
    2-methyl-1-butanol 2657.79
    n-decane 82.3
    butyronitrile 2529.67
    3,7-dimethyl-1-octanol 817.69
    1-chlorooctane 446.62
    1-chlorotetradecane 128.36
    n-nonane 88.51
    undecane 55.23
    tert-butylcyclohexane 227.63
    cyclooctane 137.83
    cyclopentanol 3273.39
    tetrahydropyran 4673.43
    tert-amyl methyl ether 1768.38
    2,5,8-trioxanonane 1210.6
    1-hexene 1956.27
    2-isopropoxyethanol 1389.96
    2,2,2-trifluoroethanol 558.8
    methyl butyrate 1866.7

    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

Botanical

Name CAS Botanical Proportion
Oenothera odorata flower headspace (China) Oenothera odorata Jacq., fam. Onagraceae 0.47%