Heptyl octanoate

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  • Identifiers

    CAS number
    4265-97-8

    Molecular formula
    C15H30O2

    SMILES
    CCCCCCCC(=O)OCCCCCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 83.46%
    Oily 73.24%
    Green 66.35%
    Winey 64.54%
    Fatty 62.94%
    Cognac 55.98%
    Floral 55.75%
    Waxy 55.53%
    Sweet 52.39%
    Herbal 51.13%

     

    Flavor
    Waxy 71.65%
    Fruity 63.02%
    Sweet 55.64%
    Oily 50.73%
    Soapy 50.23%
    Fatty 43.55%
    Floral 43.51%
    Green 41.67%
    Coconut 39.73%
    Clean 39.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    7.47 (neutral)

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -10 °C

    Boiling point

    • 160.00 °C. @ 14.00 mm Hg

    Flash point

    • 125.05 ˚C est.

    Solubility expt.

    • insoluble in water
    • 1 ml in 3 ml 90% alcohol (in ethanol)

  • Synonyms

    • HEPTYL OCTANOATE
    • Heptyl caprylate
    • 4265-97-8
    • Octanoic acid, heptyl ester
    • Heptyl octylate
    • n-Heptyl n-octanoate
    • FEMA No. 2553
    • UNII-RV47OTT39J
    • RV47OTT39J
    • EINECS 224-252-8
    • NSC-23958
    • AI3-31018
    • FEMA 2553
    • DTXSID80195382
    • N-HEPTYL OCTANOATE [FHFI]
    • NSC 23958
    • Heptyl-caprylate
    • Heptyl octanoic acid
    • N-HEPTYL OCTANOATE
    • SCHEMBL332428
    • DTXCID90117873
    • OCTANOIC ACID HEPTYL ESTER
    • CHEBI:172098
    • NSC23958
    • LMFA07010903
    • NS00022182
    • Q27288302
    • 224-252-8

  • Applications

    Heptyl octanoate (CAS number: 4265-97-8) is a long-chain fatty ester used as a fragrance ingredient and emollient in perfumery and cosmetics, contributing to texture and helping to dissolve and distribute aroma compounds. It is also employed as a solvent and fragrance carrier in household products, and in coatings, inks, and adhesives as a plasticizer or processing solvent; in industrial manufacturing it may serve as an intermediate solvent or reaction medium.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6327.7
    methanol 5938.85
    isopropanol 7112.63
    water 0.07
    ethyl acetate 13071.63
    n-propanol 6167.0
    acetone 19422.84
    n-butanol 6100.62
    acetonitrile 7639.4
    DMF 12208.97
    toluene 4295.41
    isobutanol 5563.85
    1,4-dioxane 8877.9
    methyl acetate 7565.64
    THF 14118.65
    2-butanone 12834.82
    n-pentanol 3761.99
    sec-butanol 6286.67
    n-hexane 3005.97
    ethylene glycol 270.16
    NMP 9894.93
    cyclohexane 4738.2
    DMSO 13610.64
    n-butyl acetate 10119.89
    n-octanol 1886.33
    chloroform 14568.26
    n-propyl acetate 9696.42
    acetic acid 4058.27
    dichloromethane 16494.65
    cyclohexanone 20473.1
    propylene glycol 738.47
    isopropyl acetate 8711.06
    DMAc 7962.22
    2-ethoxyethanol 3916.7
    isopentanol 6068.45
    n-heptane 1164.71
    ethyl formate 4788.99
    1,2-dichloroethane 14393.22
    n-hexanol 3501.74
    2-methoxyethanol 6232.56
    isobutyl acetate 4986.76
    tetrachloromethane 3323.65
    n-pentyl acetate 6725.29
    transcutol 13316.03
    n-heptanol 1737.76
    ethylbenzene 2416.03
    MIBK 6924.49
    2-propoxyethanol 4521.07
    tert-butanol 8432.46
    MTBE 12293.18
    2-butoxyethanol 3194.07
    propionic acid 4247.21
    o-xylene 2584.72
    formic acid 594.59
    diethyl ether 12765.31
    m-xylene 2693.93
    p-xylene 3473.62
    chlorobenzene 5945.14
    dimethyl carbonate 1703.82
    n-octane 411.38
    formamide 1468.67
    cyclopentanone 16056.2
    2-pentanone 13469.48
    anisole 3678.39
    cyclopentyl methyl ether 10553.08
    gamma-butyrolactone 12902.43
    1-methoxy-2-propanol 5592.21
    pyridine 10932.52
    3-pentanone 8093.58
    furfural 7995.41
    n-dodecane 183.22
    diethylene glycol 1784.38
    diisopropyl ether 3816.19
    tert-amyl alcohol 7212.87
    acetylacetone 9936.26
    n-hexadecane 232.08
    acetophenone 3694.14
    methyl propionate 7137.45
    isopentyl acetate 8275.32
    trichloroethylene 20341.76
    n-nonanol 1572.94
    cyclohexanol 8487.04
    benzyl alcohol 2309.64
    2-ethylhexanol 2974.43
    isooctanol 1684.36
    dipropyl ether 5715.38
    1,2-dichlorobenzene 5286.35
    ethyl lactate 1830.52
    propylene carbonate 6498.4
    n-methylformamide 5034.01
    2-pentanol 5381.41
    n-pentane 1745.15
    1-propoxy-2-propanol 4814.01
    1-methoxy-2-propyl acetate 5767.04
    2-(2-methoxypropoxy) propanol 2194.09
    mesitylene 1833.2
    ε-caprolactone 13025.03
    p-cymene 1357.18
    epichlorohydrin 13160.33
    1,1,1-trichloroethane 13797.05
    2-aminoethanol 1215.9
    morpholine-4-carbaldehyde 7498.26
    sulfolane 13823.19
    2,2,4-trimethylpentane 655.36
    2-methyltetrahydrofuran 15201.41
    n-hexyl acetate 7038.55
    isooctane 500.68
    2-(2-butoxyethoxy)ethanol 3397.15
    sec-butyl acetate 6385.38
    tert-butyl acetate 8284.35
    decalin 1287.34
    glycerin 809.72
    diglyme 7471.32
    acrylic acid 2415.54
    isopropyl myristate 1816.45
    n-butyric acid 9536.43
    acetyl acetate 5267.93
    di(2-ethylhexyl) phthalate 1179.47
    ethyl propionate 7763.25
    nitromethane 9777.1
    1,2-diethoxyethane 8183.12
    benzonitrile 4686.03
    trioctyl phosphate 974.75
    1-bromopropane 10789.41
    gamma-valerolactone 15496.56
    n-decanol 972.44
    triethyl phosphate 1713.2
    4-methyl-2-pentanol 2671.67
    propionitrile 6594.14
    vinylene carbonate 5114.76
    1,1,2-trichlorotrifluoroethane 6715.37
    DMS 3380.39
    cumene 1462.2
    2-octanol 1702.52
    2-hexanone 8519.68
    octyl acetate 2179.24
    limonene 2854.65
    1,2-dimethoxyethane 9461.92
    ethyl orthosilicate 1800.24
    tributyl phosphate 1495.08
    diacetone alcohol 5964.91
    N,N-dimethylaniline 2385.44
    acrylonitrile 6104.01
    aniline 4208.78
    1,3-propanediol 2660.83
    bromobenzene 7379.36
    dibromomethane 12531.98
    1,1,2,2-tetrachloroethane 17471.45
    2-methyl-cyclohexyl acetate 3435.64
    tetrabutyl urea 1966.7
    diisobutyl methanol 1759.74
    2-phenylethanol 2293.83
    styrene 3389.88
    dioctyl adipate 2500.43
    dimethyl sulfate 2734.28
    ethyl butyrate 6579.98
    methyl lactate 1814.38
    butyl lactate 3306.49
    diethyl carbonate 3042.19
    propanediol butyl ether 2514.93
    triethyl orthoformate 3538.99
    p-tert-butyltoluene 1265.89
    methyl 4-tert-butylbenzoate 2652.84
    morpholine 13583.34
    tert-butylamine 5888.96
    n-dodecanol 687.81
    dimethoxymethane 5872.77
    ethylene carbonate 5281.68
    cyrene 1734.08
    2-ethoxyethyl acetate 5729.65
    2-ethylhexyl acetate 6467.54
    1,2,4-trichlorobenzene 5421.45
    4-methylpyridine 11422.27
    dibutyl ether 6274.61
    2,6-dimethyl-4-heptanol 1759.74
    DEF 12964.36
    dimethyl isosorbide 4075.44
    tetrachloroethylene 10874.45
    eugenol 2109.94
    triacetin 4023.88
    span 80 2361.01
    1,4-butanediol 939.97
    1,1-dichloroethane 15003.32
    2-methyl-1-pentanol 3576.09
    methyl formate 2881.44
    2-methyl-1-butanol 5440.77
    n-decane 456.26
    butyronitrile 8392.48
    3,7-dimethyl-1-octanol 2107.69
    1-chlorooctane 2290.95
    1-chlorotetradecane 603.17
    n-nonane 521.78
    undecane 262.14
    tert-butylcyclohexane 996.24
    cyclooctane 1074.28
    cyclopentanol 7397.98
    tetrahydropyran 18478.52
    tert-amyl methyl ether 7533.69
    2,5,8-trioxanonane 3686.3
    1-hexene 7082.3
    2-isopropoxyethanol 3361.91
    2,2,2-trifluoroethanol 1146.96
    methyl butyrate 11065.38

    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