Hexyl heptanoate

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  • Identifiers

    CAS number
    1119-06-8

    Molecular formula
    C13H26O2

    SMILES
    CCCCCCC(=O)OCCCCCC

  • Odor profile

    Fragrance
    Fruity 92.57%
    Green 88.99%
    Winey 63.73%
    Oily 63.63%
    Sweet 61.03%
    Herbal 56.51%
    Waxy 56.17%
    Apple 54.87%
    Fatty 54.57%
    Cognac 50.34%

     

    Flavor
    Fruity 75.58%
    Waxy 63.69%
    Green 59.13%
    Sweet 57.55%
    Soapy 42.4%
    Herbal 42.4%
    Oily 42.11%
    Apple 41.96%
    Wine 41.95%
    Pear 39.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.76 (neutral)

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 110.37 ˚C est.

    Solubility expt.

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

  • Synonyms

    • hexyl heptanoate
    • Heptanoic acid, hexyl ester
    • 1119-06-8
    • Hexyl enanthate
    • 1-Hexyl heptanoate
    • FEMA No. 4337
    • Hexyl heptanoate [FIFH]
    • UNII-G02H8871NA
    • G02H8871NA
    • HEXYL HEPTANOATE [FHFI]
    • CHEBI:172781
    • DTXSID40149765
    • Hexyl heptanoate (FIFH)
    • Enanthic acid hexyl ester
    • heptanoic acid hexyl ester
    • n-hexyl heptanoate
    • SCHEMBL4684939
    • DTXCID7072256
    • FEMA 4337
    • NS00020140
    • E84390
    • Q27278404
    • 601-140-0

  • Applications

    Hexyl heptanoate (CAS 1119-06-8) is commonly used as an odorant and fragrance ingredient in perfumery and cosmetics, contributing a fruity note and, in some formulations, acting as a fixative. It also finds use in household products such as air fresheners and cleaners to impart a pleasant scent. Depending on regulatory approvals, it may be evaluated for use as a flavor/aroma component in food processing. In industrial contexts, it may function as a solvent or plasticizer in coatings, inks and polymer formulations, aiding processing and performance. Additionally, it can serve as an intermediate in organic synthesis for fragrance-related chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8472.66
    methanol 9061.69
    isopropanol 8112.84
    water 0.13
    ethyl acetate 13508.93
    n-propanol 7160.75
    acetone 23068.6
    n-butanol 6976.81
    acetonitrile 10302.16
    DMF 14505.75
    toluene 4833.68
    isobutanol 6441.29
    1,4-dioxane 9683.04
    methyl acetate 8156.29
    THF 14639.89
    2-butanone 13817.94
    n-pentanol 4217.76
    sec-butanol 6964.31
    n-hexane 3299.53
    ethylene glycol 510.16
    NMP 11054.46
    cyclohexane 4443.79
    DMSO 16067.64
    n-butyl acetate 10508.34
    n-octanol 1956.78
    chloroform 16911.87
    n-propyl acetate 8741.27
    acetic acid 5912.44
    dichloromethane 18579.32
    cyclohexanone 20793.39
    propylene glycol 1057.03
    isopropyl acetate 8687.79
    DMAc 8640.51
    2-ethoxyethanol 4259.23
    isopentanol 6747.08
    n-heptane 1040.41
    ethyl formate 5302.58
    1,2-dichloroethane 15849.57
    n-hexanol 4142.4
    2-methoxyethanol 7141.26
    isobutyl acetate 4504.37
    tetrachloromethane 3503.01
    n-pentyl acetate 5901.54
    transcutol 14680.4
    n-heptanol 1727.47
    ethylbenzene 2555.93
    MIBK 6713.18
    2-propoxyethanol 5207.33
    tert-butanol 9425.06
    MTBE 12598.29
    2-butoxyethanol 3116.28
    propionic acid 5265.95
    o-xylene 2680.6
    formic acid 1051.62
    diethyl ether 13197.86
    m-xylene 2885.03
    p-xylene 3597.57
    chlorobenzene 6578.98
    dimethyl carbonate 1931.05
    n-octane 370.41
    formamide 2283.04
    cyclopentanone 16565.04
    2-pentanone 14138.37
    anisole 3880.14
    cyclopentyl methyl ether 10187.95
    gamma-butyrolactone 13782.78
    1-methoxy-2-propanol 6006.38
    pyridine 12280.36
    3-pentanone 8561.85
    furfural 8478.44
    n-dodecane 184.52
    diethylene glycol 2326.19
    diisopropyl ether 3689.71
    tert-amyl alcohol 7845.4
    acetylacetone 10462.08
    n-hexadecane 231.27
    acetophenone 3740.82
    methyl propionate 7392.05
    isopentyl acetate 8222.64
    trichloroethylene 22940.43
    n-nonanol 1600.35
    cyclohexanol 8795.93
    benzyl alcohol 2566.03
    2-ethylhexanol 3124.89
    isooctanol 1608.63
    dipropyl ether 5181.09
    1,2-dichlorobenzene 5607.4
    ethyl lactate 1785.48
    propylene carbonate 6611.18
    n-methylformamide 6283.4
    2-pentanol 5838.33
    n-pentane 1920.44
    1-propoxy-2-propanol 5011.56
    1-methoxy-2-propyl acetate 5602.88
    2-(2-methoxypropoxy) propanol 2393.49
    mesitylene 1885.96
    ε-caprolactone 13046.87
    p-cymene 1320.81
    epichlorohydrin 13877.28
    1,1,1-trichloroethane 14651.8
    2-aminoethanol 1742.67
    morpholine-4-carbaldehyde 7962.83
    sulfolane 14552.34
    2,2,4-trimethylpentane 671.68
    2-methyltetrahydrofuran 15161.06
    n-hexyl acetate 6844.12
    isooctane 513.61
    2-(2-butoxyethoxy)ethanol 3695.47
    sec-butyl acetate 5617.55
    tert-butyl acetate 7783.61
    decalin 1310.34
    glycerin 1216.26
    diglyme 7439.05
    acrylic acid 3387.74
    isopropyl myristate 1726.53
    n-butyric acid 10405.99
    acetyl acetate 5696.17
    di(2-ethylhexyl) phthalate 1260.14
    ethyl propionate 6989.2
    nitromethane 12549.76
    1,2-diethoxyethane 8163.23
    benzonitrile 5155.71
    trioctyl phosphate 984.71
    1-bromopropane 11455.43
    gamma-valerolactone 15330.86
    n-decanol 1011.83
    triethyl phosphate 1613.22
    4-methyl-2-pentanol 2799.75
    propionitrile 7852.29
    vinylene carbonate 5511.22
    1,1,2-trichlorotrifluoroethane 7543.69
    DMS 3515.72
    cumene 1507.63
    2-octanol 1661.52
    2-hexanone 8360.35
    octyl acetate 2091.61
    limonene 2706.89
    1,2-dimethoxyethane 9405.51
    ethyl orthosilicate 1685.33
    tributyl phosphate 1537.37
    diacetone alcohol 5792.89
    N,N-dimethylaniline 2455.87
    acrylonitrile 7667.86
    aniline 4884.34
    1,3-propanediol 3316.48
    bromobenzene 8058.8
    dibromomethane 13827.02
    1,1,2,2-tetrachloroethane 18737.65
    2-methyl-cyclohexyl acetate 3256.66
    tetrabutyl urea 1959.56
    diisobutyl methanol 1729.94
    2-phenylethanol 2602.73
    styrene 3717.1
    dioctyl adipate 2395.32
    dimethyl sulfate 3049.46
    ethyl butyrate 5964.64
    methyl lactate 2001.6
    butyl lactate 3190.86
    diethyl carbonate 2858.84
    propanediol butyl ether 2747.77
    triethyl orthoformate 3178.24
    p-tert-butyltoluene 1236.48
    methyl 4-tert-butylbenzoate 2565.87
    morpholine 14102.28
    tert-butylamine 6667.85
    n-dodecanol 720.21
    dimethoxymethane 6329.02
    ethylene carbonate 5385.81
    cyrene 1826.79
    2-ethoxyethyl acetate 5498.64
    2-ethylhexyl acetate 6329.1
    1,2,4-trichlorobenzene 5813.69
    4-methylpyridine 12589.19
    dibutyl ether 5708.97
    2,6-dimethyl-4-heptanol 1729.94
    DEF 13578.33
    dimethyl isosorbide 4159.55
    tetrachloroethylene 11718.09
    eugenol 2231.96
    triacetin 3869.56
    span 80 2548.86
    1,4-butanediol 1195.05
    1,1-dichloroethane 16140.15
    2-methyl-1-pentanol 3971.31
    methyl formate 3672.17
    2-methyl-1-butanol 6042.26
    n-decane 418.25
    butyronitrile 9925.59
    3,7-dimethyl-1-octanol 2161.86
    1-chlorooctane 2131.62
    1-chlorotetradecane 595.31
    n-nonane 478.2
    undecane 255.69
    tert-butylcyclohexane 1033.32
    cyclooctane 985.47
    cyclopentanol 7665.16
    tetrahydropyran 18749.4
    tert-amyl methyl ether 7489.98
    2,5,8-trioxanonane 3921.17
    1-hexene 8003.3
    2-isopropoxyethanol 3467.65
    2,2,2-trifluoroethanol 1519.11
    methyl butyrate 10445.34

    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