Heptyl heptanoate

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  • Identifiers

    CAS number
    624-09-9

    Molecular formula
    C14H28O2

    SMILES
    CCCCCCCOC(=O)CCCCCC

  • Odor profile

    Fruity 88.02%
    Green 80.03%
    Oily 70.16%
    Winey 64.97%
    Fatty 58.99%
    Herbal 56.01%
    Sweet 55.04%
    Waxy 54.59%
    Cognac 54.01%
    Floral 51.23%

    Scent© AI

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    7.57 (neutral)

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -33 °C

    Boiling point

    • 276.00 to 277.00 °C. @ 760.00 mm Hg

    Flash point est.
    119.35 ˚C

    Solubility expt.

    • Insoluble in water, soluble in non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • Heptyl heptanoate
    • 624-09-9
    • Heptanoic acid, heptyl ester
    • Heptyl heptoate
    • UNII-BG2A3OKN56
    • BG2A3OKN56
    • EINECS 210-828-6
    • 1-HEPTYL HEPTANOATE
    • AI3-02076
    • FEMA NO. 4341
    • HEPTYL HEPTANOATE [FHFI]
    • DTXSID80211450
    • Heptylheptanoate
    • heptanoic acid heptyl ester
    • 1-Heptylheptanoate
    • SCHEMBL3503938
    • DTXCID80133941
    • CHEBI:179775
    • LMFA07010902
    • AKOS015843132
    • Heptyl heptanoate, natural (US), 98%
    • s10717
    • AS-56832
    • DB-319627
    • NS00022537
    • Q27274649
    • 210-828-6

  • Applications

    Heptyl heptanoate (CAS 624-09-9) is a medium-chain ester valued across industries for its faint odour, low volatility and outstanding lubrication; in cosmetics and personal-care it works as a skin-conditioning emollient, fragrance carrier and water-resistant dispersant in creams, shampoos and colour cosmetics; in perfumery it provides a mild fruity-herbal note and acts as a fixative that slows evaporation of top accords; thanks to its high viscosity index and ready biodegradability the molecule is blended as a base fluid in environmentally acceptable cutting oils, heat-transfer fluids and greases; it also serves as a non-toxic plasticizer for flexible PVC, a flow-enhancing additive for inks and coatings, a low-odour cleaning solvent for electronic assemblies, a structuring agent in advanced biofuels, and an intermediate used in the synthesis of controlled-release pharmaceuticals or next-generation agrochemicals.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7945.67
    methanol 7811.3
    isopropanol 7894.01
    water 0.09
    ethyl acetate 14350.24
    n-propanol 7141.93
    acetone 23154.86
    n-butanol 7128.43
    acetonitrile 9754.17
    DMF 15322.27
    toluene 5227.26
    isobutanol 6351.73
    1,4-dioxane 9866.96
    methyl acetate 8435.34
    THF 15626.72
    2-butanone 15039.24
    n-pentanol 4309.54
    sec-butanol 7101.72
    n-hexane 3523.29
    ethylene glycol 409.39
    NMP 11834.08
    cyclohexane 4877.99
    DMSO 17506.93
    n-butyl acetate 11012.39
    n-octanol 2025.86
    chloroform 17395.64
    n-propyl acetate 10139.71
    acetic acid 5186.83
    dichloromethane 19648.45
    cyclohexanone 23059.31
    propylene glycol 967.52
    isopropyl acetate 9170.22
    DMAc 9156.39
    2-ethoxyethanol 4453.25
    isopentanol 6849.13
    n-heptane 1151.44
    ethyl formate 5444.59
    1,2-dichloroethane 17017.76
    n-hexanol 4075.61
    2-methoxyethanol 7237.27
    isobutyl acetate 5061.42
    tetrachloromethane 3766.43
    n-pentyl acetate 6695.07
    transcutol 15157.28
    n-heptanol 1817.53
    ethylbenzene 2830.13
    MIBK 7356.4
    2-propoxyethanol 5197.27
    tert-butanol 9209.29
    MTBE 13305.63
    2-butoxyethanol 3381.85
    propionic acid 5154.21
    o-xylene 2966.68
    formic acid 880.18
    diethyl ether 13977.63
    m-xylene 3154.13
    p-xylene 3967.61
    chlorobenzene 7184.68
    dimethyl carbonate 2050.19
    n-octane 395.78
    formamide 2088.48
    cyclopentanone 18604.11
    2-pentanone 15264.88
    anisole 4307.32
    cyclopentyl methyl ether 11536.48
    gamma-butyrolactone 14935.91
    1-methoxy-2-propanol 6279.54
    pyridine 13218.24
    3-pentanone 9381.72
    furfural 9381.15
    n-dodecane 180.33
    diethylene glycol 2197.63
    diisopropyl ether 3985.04
    tert-amyl alcohol 7994.54
    acetylacetone 11024.2
    n-hexadecane 228.86
    acetophenone 4210.03
    methyl propionate 8057.01
    isopentyl acetate 8697.27
    trichloroethylene 24732.23
    n-nonanol 1665.2
    cyclohexanol 9316.78
    benzyl alcohol 2737.33
    2-ethylhexanol 3239.88
    isooctanol 1729.48
    dipropyl ether 5802.21
    1,2-dichlorobenzene 6253.86
    ethyl lactate 1969.04
    propylene carbonate 7148.23
    n-methylformamide 6529.66
    2-pentanol 6028.13
    n-pentane 1989.63
    1-propoxy-2-propanol 5201.78
    1-methoxy-2-propyl acetate 6036.51
    2-(2-methoxypropoxy) propanol 2437.65
    mesitylene 2051.86
    ε-caprolactone 14191.61
    p-cymene 1449.6
    epichlorohydrin 15180.88
    1,1,1-trichloroethane 15790.58
    2-aminoethanol 1623.18
    morpholine-4-carbaldehyde 8483.78
    sulfolane 16170.12
    2,2,4-trimethylpentane 718.85
    2-methyltetrahydrofuran 16845.05
    n-hexyl acetate 7460.86
    isooctane 536.81
    2-(2-butoxyethoxy)ethanol 3783.69
    sec-butyl acetate 6470.56
    tert-butyl acetate 8522.86
    decalin 1415.42
    glycerin 1070.36
    diglyme 8040.99
    acrylic acid 3179.88
    isopropyl myristate 1854.02
    n-butyric acid 10527.03
    acetyl acetate 5842.76
    di(2-ethylhexyl) phthalate 1307.51
    ethyl propionate 8172.77
    nitromethane 12056.75
    1,2-diethoxyethane 8751.79
    benzonitrile 5583.01
    trioctyl phosphate 1033.66
    1-bromopropane 12469.07
    gamma-valerolactone 17261.83
    n-decanol 1028.02
    triethyl phosphate 1776.43
    4-methyl-2-pentanol 2859.08
    propionitrile 7941.84
    vinylene carbonate 5865.0
    1,1,2-trichlorotrifluoroethane 8023.45
    DMS 3723.11
    cumene 1649.56
    2-octanol 1770.79
    2-hexanone 9489.83
    octyl acetate 2218.92
    limonene 2983.48
    1,2-dimethoxyethane 10158.19
    ethyl orthosilicate 1860.31
    tributyl phosphate 1615.68
    diacetone alcohol 6257.64
    N,N-dimethylaniline 2717.72
    acrylonitrile 7663.36
    aniline 5190.62
    1,3-propanediol 3169.88
    bromobenzene 8815.78
    dibromomethane 14672.43
    1,1,2,2-tetrachloroethane 20519.79
    2-methyl-cyclohexyl acetate 3574.22
    tetrabutyl urea 2099.46
    diisobutyl methanol 1813.22
    2-phenylethanol 2696.91
    styrene 4132.16
    dioctyl adipate 2602.96
    dimethyl sulfate 3320.8
    ethyl butyrate 6636.91
    methyl lactate 2083.78
    butyl lactate 3484.57
    diethyl carbonate 3164.21
    propanediol butyl ether 2865.31
    triethyl orthoformate 3543.74
    p-tert-butyltoluene 1352.24
    methyl 4-tert-butylbenzoate 2809.23
    morpholine 15177.22
    tert-butylamine 6591.73
    n-dodecanol 724.7
    dimethoxymethane 6707.95
    ethylene carbonate 5796.02
    cyrene 1929.37
    2-ethoxyethyl acetate 6057.39
    2-ethylhexyl acetate 6911.02
    1,2,4-trichlorobenzene 6338.63
    4-methylpyridine 13760.24
    dibutyl ether 6396.31
    2,6-dimethyl-4-heptanol 1813.22
    DEF 14792.64
    dimethyl isosorbide 4419.82
    tetrachloroethylene 12708.16
    eugenol 2371.44
    triacetin 4240.41
    span 80 2608.89
    1,4-butanediol 1135.33
    1,1-dichloroethane 17217.6
    2-methyl-1-pentanol 4080.75
    methyl formate 3686.18
    2-methyl-1-butanol 6231.12
    n-decane 437.52
    butyronitrile 9947.21
    3,7-dimethyl-1-octanol 2250.73
    1-chlorooctane 2320.69
    1-chlorotetradecane 617.48
    n-nonane 506.83
    undecane 254.93
    tert-butylcyclohexane 1095.7
    cyclooctane 1108.31
    cyclopentanol 8204.65
    tetrahydropyran 20313.41
    tert-amyl methyl ether 8197.51
    2,5,8-trioxanonane 4021.63
    1-hexene 8367.04
    2-isopropoxyethanol 3708.83
    2,2,2-trifluoroethanol 1427.73
    methyl butyrate 11892.32

    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