Octyl heptanoate

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  • Identifiers

    CAS number
    5132-75-2

    Molecular formula
    C15H30O2

    SMILES
    CCCCCCCCOC(=O)CCCCCC

  • Odor profile

    Fragrance
    Fruity 83.51%
    Oily 73.5%
    Green 65.58%
    Winey 64.99%
    Fatty 62.52%
    Cognac 56.52%
    Floral 54.81%
    Waxy 54.68%
    Sweet 51.65%
    Herbal 50.96%

     

    Flavor
    Waxy 71.36%
    Fruity 63.29%
    Sweet 55.33%
    Oily 50.65%
    Soapy 50.09%
    Floral 43.53%
    Fatty 42.99%
    Green 41.99%
    Coconut 39.28%
    Clean 39.21%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    7.34 (neutral)

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    295°C

    Melting point expt.

    • -21.5 °C

    Flash point

    • 126.99 ˚C est.

    Solubility expt.

    • soluble in most organic solvents; insoluble in water

  • Synonyms

    • Octyl heptanoate
    • Octyl enanthate
    • Octyl heptylate
    • Heptanoic acid, octyl ester
    • Octyl heptoate
    • 5132-75-2
    • FEMA No. 2810
    • UNII-ZYZ1M355QM
    • ZYZ1M355QM
    • EINECS 225-882-6
    • AI3-36012
    • CAPRYRYL HEPTANOATE
    • OCTYL HEPTANOATE [FHFI]
    • DTXSID60199323
    • HEPTANOIC ACID OCTYL ESTER
    • Octyl heptanoate #
    • SCHEMBL874128
    • FEMA 2810
    • DTXCID90121814
    • CHEBI:172100
    • LMFA07010981
    • NS00022269
    • Q27295951
    • 225-882-6

  • Applications

    Octyl heptanoate, CAS 5132-75-2, is the ester of octanol and heptanoic acid; in practice it is used as an emollient and a lightweight solvent in cosmetics and personal care, serving as a carrier or solvent for active ingredients and fragrances. In fragrance applications, it functions as a fragrance ingredient and solvent for perfumery formulations, with a long aliphatic chain providing characteristics suitable for blending. In household and cleaning products, it acts as a solvent and softening additive in cleaners and surface formulations. In industrial manufacturing, it is used as a solvent and processing aid in coatings, varnishes, and inks, improving dissolution and formulation stability. In polymers and plastics, it can be employed as a plasticizer or processing aid to enhance flexibility and processing. Applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7211.06
    methanol 6898.54
    isopropanol 7815.19
    water 0.09
    ethyl acetate 14099.06
    n-propanol 6914.91
    acetone 21497.64
    n-butanol 6873.37
    acetonitrile 8515.64
    DMF 13806.54
    toluene 4771.3
    isobutanol 6185.44
    1,4-dioxane 9789.11
    methyl acetate 8114.89
    THF 15466.52
    2-butanone 14157.2
    n-pentanol 4166.11
    sec-butanol 6908.0
    n-hexane 3370.66
    ethylene glycol 318.05
    NMP 10946.0
    cyclohexane 5254.84
    DMSO 15385.01
    n-butyl acetate 10790.52
    n-octanol 2003.12
    chloroform 15948.85
    n-propyl acetate 10411.69
    acetic acid 4663.49
    dichloromethane 17927.6
    cyclohexanone 22744.93
    propylene glycol 818.28
    isopropyl acetate 9338.31
    DMAc 8896.19
    2-ethoxyethanol 4334.22
    isopentanol 6693.0
    n-heptane 1205.22
    ethyl formate 5263.93
    1,2-dichloroethane 15818.76
    n-hexanol 3794.18
    2-methoxyethanol 6903.09
    isobutyl acetate 5349.17
    tetrachloromethane 3680.96
    n-pentyl acetate 7134.87
    transcutol 14319.53
    n-heptanol 1865.76
    ethylbenzene 2664.12
    MIBK 7502.1
    2-propoxyethanol 4919.51
    tert-butanol 9058.47
    MTBE 13403.53
    2-butoxyethanol 3461.98
    propionic acid 4766.19
    o-xylene 2793.92
    formic acid 715.38
    diethyl ether 14054.29
    m-xylene 2898.11
    p-xylene 3816.35
    chlorobenzene 6556.27
    dimethyl carbonate 1889.69
    n-octane 417.46
    formamide 1765.05
    cyclopentanone 17677.18
    2-pentanone 14747.82
    anisole 4086.77
    cyclopentyl methyl ether 11493.26
    gamma-butyrolactone 14006.56
    1-methoxy-2-propanol 6077.09
    pyridine 12396.48
    3-pentanone 8888.2
    furfural 8747.68
    n-dodecane 183.38
    diethylene glycol 1965.82
    diisopropyl ether 4087.43
    tert-amyl alcohol 7797.42
    acetylacetone 10682.13
    n-hexadecane 233.4
    acetophenone 4056.41
    methyl propionate 7657.92
    isopentyl acetate 8811.18
    trichloroethylene 22318.9
    n-nonanol 1668.34
    cyclohexanol 9320.28
    benzyl alcohol 2554.0
    2-ethylhexanol 3173.65
    isooctanol 1796.4
    dipropyl ether 6123.25
    1,2-dichlorobenzene 5784.63
    ethyl lactate 1966.61
    propylene carbonate 7014.49
    n-methylformamide 5764.68
    2-pentanol 5857.3
    n-pentane 1950.92
    1-propoxy-2-propanol 5102.49
    1-methoxy-2-propyl acetate 6037.76
    2-(2-methoxypropoxy) propanol 2326.42
    mesitylene 1952.94
    ε-caprolactone 14144.37
    p-cymene 1429.42
    epichlorohydrin 14269.27
    1,1,1-trichloroethane 14957.2
    2-aminoethanol 1405.78
    morpholine-4-carbaldehyde 8214.02
    sulfolane 14829.71
    2,2,4-trimethylpentane 708.48
    2-methyltetrahydrofuran 16772.24
    n-hexyl acetate 7542.06
    isooctane 534.76
    2-(2-butoxyethoxy)ethanol 3635.39
    sec-butyl acetate 6845.39
    tert-butyl acetate 8830.99
    decalin 1395.74
    glycerin 915.07
    diglyme 8021.74
    acrylic acid 2758.52
    isopropyl myristate 1879.66
    n-butyric acid 10360.61
    acetyl acetate 5683.1
    di(2-ethylhexyl) phthalate 1249.41
    ethyl propionate 8294.16
    nitromethane 11040.28
    1,2-diethoxyethane 8737.36
    benzonitrile 5202.8
    trioctyl phosphate 1021.19
    1-bromopropane 11857.91
    gamma-valerolactone 16949.48
    n-decanol 1014.1
    triethyl phosphate 1810.65
    4-methyl-2-pentanol 2876.47
    propionitrile 7322.81
    vinylene carbonate 5578.5
    1,1,2-trichlorotrifluoroethane 7379.22
    DMS 3582.94
    cumene 1587.51
    2-octanol 1796.37
    2-hexanone 9300.65
    octyl acetate 2253.07
    limonene 2998.69
    1,2-dimethoxyethane 10306.8
    ethyl orthosilicate 1914.9
    tributyl phosphate 1569.48
    diacetone alcohol 6360.17
    N,N-dimethylaniline 2612.32
    acrylonitrile 6788.19
    aniline 4705.74
    1,3-propanediol 2966.58
    bromobenzene 8073.65
    dibromomethane 13580.44
    1,1,2,2-tetrachloroethane 18963.17
    2-methyl-cyclohexyl acetate 3652.43
    tetrabutyl urea 2075.29
    diisobutyl methanol 1852.79
    2-phenylethanol 2514.42
    styrene 3798.93
    dioctyl adipate 2608.91
    dimethyl sulfate 3006.22
    ethyl butyrate 6931.07
    methyl lactate 1955.53
    butyl lactate 3513.32
    diethyl carbonate 3252.65
    propanediol butyl ether 2716.39
    triethyl orthoformate 3754.79
    p-tert-butyltoluene 1329.0
    methyl 4-tert-butylbenzoate 2806.35
    morpholine 15023.5
    tert-butylamine 6412.41
    n-dodecanol 715.31
    dimethoxymethane 6497.83
    ethylene carbonate 5784.4
    cyrene 1852.2
    2-ethoxyethyl acetate 6144.99
    2-ethylhexyl acetate 6925.46
    1,2,4-trichlorobenzene 5882.93
    4-methylpyridine 12875.43
    dibutyl ether 6638.03
    2,6-dimethyl-4-heptanol 1852.79
    DEF 14220.16
    dimethyl isosorbide 4265.31
    tetrachloroethylene 12018.55
    eugenol 2274.22
    triacetin 4246.34
    span 80 2496.27
    1,4-butanediol 1040.12
    1,1-dichloroethane 16206.11
    2-methyl-1-pentanol 3950.86
    methyl formate 3240.96
    2-methyl-1-butanol 6011.27
    n-decane 461.81
    butyronitrile 9283.12
    3,7-dimethyl-1-octanol 2211.17
    1-chlorooctane 2370.79
    1-chlorotetradecane 618.64
    n-nonane 526.7
    undecane 263.95
    tert-butylcyclohexane 1066.49
    cyclooctane 1162.72
    cyclopentanol 8067.29
    tetrahydropyran 20502.44
    tert-amyl methyl ether 8217.64
    2,5,8-trioxanonane 3895.67
    1-hexene 7860.88
    2-isopropoxyethanol 3681.06
    2,2,2-trifluoroethanol 1313.02
    methyl butyrate 11921.9

    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