2-Heptyl hexanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6624-58-4

    Molecular formula
    C13H26O2

    SMILES
    CCCCCC(C)OC(=O)CCCCC

  • Odor profile

    Fragrance
    Fruity 94.39%
    Green 84.63%
    Waxy 56.1%
    Winey 55.76%
    Oily 55.24%
    Apple 55.09%
    Herbal 50.49%
    Fatty 49.33%
    Tropical 47.08%
    Sweet 44.65%

     

    Flavor
    Fruity 70.52%
    Green 58.35%
    Herbal 43.67%
    Oily 43.12%
    Waxy 41.0%
    Tropical 37.59%
    Pineapple 34.86%
    Fresh 33.24%
    Sweet 31.91%
    Mushroom 31.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.82 (neutral)

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point

    • 102.71 ˚C est.

  • Synonyms

    • Hexanoic acid, 1-methylhexyl ester
    • 2-Heptyl hexanoate
    • heptan-2-yl hexanoate
    • 1-Methylhexyl hexanoate
    • 6624-58-4
    • 8KIQ67GW3S
    • sec-heptyl hexanoate
    • EINECS 229-582-6
    • NSC-53804
    • AI3-06074
    • NSC 53804
    • 2-HEPTYL HEXANOATE, (+/-)-
    • 2-Heptyl capronate
    • Hexanoic acid,1-methylhexyl ester
    • UNII-8KIQ67GW3S
    • SCHEMBL9958885
    • DTXSID80863918
    • NSC53804
    • DS-011174
    • NS00046612

  • Applications

    2-Heptyl hexanoate (CAS number: 6624-58-4) is typically used in perfumery and fragrance formulations as a long-lasting aroma ingredient and fixative; in cosmetics and personal care, it functions as a fragrance component and lipophilic solvent to help dissolve scent compounds in lotions and creams; in household products it serves as a fragrance additive in air fresheners and cleaners to provide sustained aroma; in industrial manufacturing it can be used as a lipophilic solvent or carrier for fragrance blends during formulation; in coatings and inks it may be added as a fragrance additive to impart scent without compromising film formation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11279.01
    methanol 10834.52
    isopropanol 10350.39
    water 0.29
    ethyl acetate 10692.86
    n-propanol 8591.11
    acetone 17083.08
    n-butanol 8284.9
    acetonitrile 8627.3
    DMF 9750.21
    toluene 4002.42
    isobutanol 7388.83
    1,4-dioxane 9999.92
    methyl acetate 6488.4
    THF 15132.86
    2-butanone 9782.1
    n-pentanol 5120.3
    sec-butanol 8180.24
    n-hexane 3544.46
    ethylene glycol 599.12
    NMP 8322.97
    cyclohexane 5053.2
    DMSO 9354.03
    n-butyl acetate 9695.3
    n-octanol 2377.85
    chloroform 15652.84
    n-propyl acetate 6378.48
    acetic acid 5859.96
    dichloromethane 15135.23
    cyclohexanone 16431.74
    propylene glycol 1278.38
    isopropyl acetate 7322.11
    DMAc 6190.48
    2-ethoxyethanol 3843.9
    isopentanol 7710.39
    n-heptane 1262.16
    ethyl formate 4912.28
    1,2-dichloroethane 10929.21
    n-hexanol 5735.44
    2-methoxyethanol 6355.04
    isobutyl acetate 3655.55
    tetrachloromethane 2832.95
    n-pentyl acetate 4904.63
    transcutol 11651.26
    n-heptanol 2048.43
    ethylbenzene 2098.07
    MIBK 5590.81
    2-propoxyethanol 5638.82
    tert-butanol 10491.75
    MTBE 11686.47
    2-butoxyethanol 2941.2
    propionic acid 4828.41
    o-xylene 2166.93
    formic acid 1010.39
    diethyl ether 12227.41
    m-xylene 2342.11
    p-xylene 2965.55
    chlorobenzene 5438.98
    dimethyl carbonate 1387.88
    n-octane 473.56
    formamide 1653.04
    cyclopentanone 12027.56
    2-pentanone 10271.73
    anisole 3026.34
    cyclopentyl methyl ether 8844.43
    gamma-butyrolactone 10338.98
    1-methoxy-2-propanol 5319.89
    pyridine 9936.22
    3-pentanone 5838.06
    furfural 6265.55
    n-dodecane 255.13
    diethylene glycol 2324.5
    diisopropyl ether 3610.39
    tert-amyl alcohol 8380.18
    acetylacetone 7974.55
    n-hexadecane 311.6
    acetophenone 2783.81
    methyl propionate 5517.87
    isopentyl acetate 7719.52
    trichloroethylene 15794.56
    n-nonanol 1983.96
    cyclohexanol 9058.3
    benzyl alcohol 2292.77
    2-ethylhexanol 3604.73
    isooctanol 1762.23
    dipropyl ether 5320.23
    1,2-dichlorobenzene 4106.68
    ethyl lactate 1434.39
    propylene carbonate 5705.93
    n-methylformamide 4469.08
    2-pentanol 6809.43
    n-pentane 2199.2
    1-propoxy-2-propanol 5052.52
    1-methoxy-2-propyl acetate 4862.39
    2-(2-methoxypropoxy) propanol 2151.21
    mesitylene 1559.46
    ε-caprolactone 11142.14
    p-cymene 1272.11
    epichlorohydrin 10868.24
    1,1,1-trichloroethane 10659.78
    2-aminoethanol 1961.82
    morpholine-4-carbaldehyde 6522.87
    sulfolane 9866.21
    2,2,4-trimethylpentane 701.67
    2-methyltetrahydrofuran 14142.9
    n-hexyl acetate 6231.99
    isooctane 555.94
    2-(2-butoxyethoxy)ethanol 3346.3
    sec-butyl acetate 4344.12
    tert-butyl acetate 6373.99
    decalin 1287.33
    glycerin 1200.46
    diglyme 6050.14
    acrylic acid 2845.14
    isopropyl myristate 1814.48
    n-butyric acid 10087.29
    acetyl acetate 4685.98
    di(2-ethylhexyl) phthalate 1246.92
    ethyl propionate 4884.56
    nitromethane 8938.5
    1,2-diethoxyethane 6912.92
    benzonitrile 4380.41
    trioctyl phosphate 1000.93
    1-bromopropane 9377.1
    gamma-valerolactone 12277.68
    n-decanol 1292.0
    triethyl phosphate 1338.8
    4-methyl-2-pentanol 3193.53
    propionitrile 6825.64
    vinylene carbonate 4541.72
    1,1,2-trichlorotrifluoroethane 5540.67
    DMS 2718.25
    cumene 1298.99
    2-octanol 1881.96
    2-hexanone 6467.56
    octyl acetate 2211.76
    limonene 2803.18
    1,2-dimethoxyethane 8759.92
    ethyl orthosilicate 1423.6
    tributyl phosphate 1431.02
    diacetone alcohol 4696.7
    N,N-dimethylaniline 1958.21
    acrylonitrile 5882.71
    aniline 4000.16
    1,3-propanediol 3517.19
    bromobenzene 6375.16
    dibromomethane 11896.76
    1,1,2,2-tetrachloroethane 12840.02
    2-methyl-cyclohexyl acetate 2932.69
    tetrabutyl urea 1788.75
    diisobutyl methanol 1844.56
    2-phenylethanol 2509.58
    styrene 2907.12
    dioctyl adipate 2262.96
    dimethyl sulfate 1937.04
    ethyl butyrate 5027.98
    methyl lactate 1555.55
    butyl lactate 2703.04
    diethyl carbonate 2315.5
    propanediol butyl ether 2520.24
    triethyl orthoformate 2675.51
    p-tert-butyltoluene 1180.54
    methyl 4-tert-butylbenzoate 2179.3
    morpholine 13822.98
    tert-butylamine 7434.73
    n-dodecanol 922.84
    dimethoxymethane 5322.24
    ethylene carbonate 4855.5
    cyrene 1625.47
    2-ethoxyethyl acetate 4346.06
    2-ethylhexyl acetate 5630.06
    1,2,4-trichlorobenzene 4346.61
    4-methylpyridine 9893.28
    dibutyl ether 5229.35
    2,6-dimethyl-4-heptanol 1844.56
    DEF 9150.13
    dimethyl isosorbide 3602.23
    tetrachloroethylene 8454.99
    eugenol 1877.78
    triacetin 3145.72
    span 80 2560.47
    1,4-butanediol 1349.3
    1,1-dichloroethane 12540.08
    2-methyl-1-pentanol 4521.66
    methyl formate 2756.33
    2-methyl-1-butanol 6649.56
    n-decane 547.08
    butyronitrile 10059.75
    3,7-dimethyl-1-octanol 2480.58
    1-chlorooctane 2255.81
    1-chlorotetradecane 687.41
    n-nonane 620.65
    undecane 351.6
    tert-butylcyclohexane 1064.91
    cyclooctane 1056.17
    cyclopentanol 7811.23
    tetrahydropyran 18197.64
    tert-amyl methyl ether 6512.61
    2,5,8-trioxanonane 3476.87
    1-hexene 8231.17
    2-isopropoxyethanol 3103.85
    2,2,2-trifluoroethanol 1261.39
    methyl butyrate 7720.43

    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