Heptyl nonanoate

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  • Identifiers

    CAS number
    71605-85-1

    Molecular formula
    C16H32O2

    SMILES
    CCCCCCCCC(=O)OCCCCCCC

  • Odor profile

    Fruity 77.81%
    Oily 74.68%
    Fatty 64.87%
    Winey 61.99%
    Floral 56.83%
    Waxy 56.08%
    Cognac 55.89%
    Green 49.27%
    Sweet 48.36%
    Rose 45.36%

    Scent© AI

  • Properties

    XLogP3-AA
    6.5

    Molecular weight
    256.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    310°C

    Flash point est.
    133.64 ˚C

  • Synonyms

    • heptyl nonanoate
    • 71605-85-1
    • Heptyl nonan-1-oate
    • Nonanoic acid, heptyl ester
    • EINECS 275-665-5
    • nonanoic acid heptyl ester
    • Nonanoicacid,heptyl ester
    • SCHEMBL2396366
    • DTXSID90221848
    • NS00037251
    • Q63391910

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3863.47
    methanol 3324.38
    isopropanol 4648.89
    water 0.05
    ethyl acetate 10039.59
    n-propanol 4179.3
    acetone 12278.29
    n-butanol 4289.23
    acetonitrile 4611.81
    DMF 8896.1
    toluene 3438.6
    isobutanol 3841.16
    1,4-dioxane 6853.21
    methyl acetate 5657.41
    THF 11719.36
    2-butanone 9597.95
    n-pentanol 2743.44
    sec-butanol 4427.03
    n-hexane 2075.96
    ethylene glycol 144.27
    NMP 8456.05
    cyclohexane 3895.79
    DMSO 9428.24
    n-butyl acetate 8194.6
    n-octanol 1507.74
    chloroform 11671.68
    n-propyl acetate 8119.45
    acetic acid 2666.12
    dichloromethane 12884.78
    cyclohexanone 17234.49
    propylene glycol 453.1
    isopropyl acetate 7089.9
    DMAc 6776.02
    2-ethoxyethanol 3076.8
    isopentanol 4491.26
    n-heptane 955.07
    ethyl formate 3603.15
    1,2-dichloroethane 11344.21
    n-hexanol 2472.87
    2-methoxyethanol 4556.52
    isobutyl acetate 4292.47
    tetrachloromethane 2662.74
    n-pentyl acetate 5991.14
    transcutol 11122.17
    n-heptanol 1397.82
    ethylbenzene 1962.6
    MIBK 5873.25
    2-propoxyethanol 3527.78
    tert-butanol 5941.44
    MTBE 9303.42
    2-butoxyethanol 2696.12
    propionic acid 3025.55
    o-xylene 2180.97
    formic acid 357.93
    diethyl ether 9698.98
    m-xylene 2186.83
    p-xylene 2868.06
    chlorobenzene 4777.36
    dimethyl carbonate 1315.16
    n-octane 337.19
    formamide 927.67
    cyclopentanone 13192.24
    2-pentanone 10292.14
    anisole 3089.14
    cyclopentyl methyl ether 8826.36
    gamma-butyrolactone 10345.02
    1-methoxy-2-propanol 4332.59
    pyridine 8808.39
    3-pentanone 6466.08
    furfural 6603.79
    n-dodecane 147.85
    diethylene glycol 1263.48
    diisopropyl ether 3067.18
    tert-amyl alcohol 5305.28
    acetylacetone 7713.98
    n-hexadecane 190.0
    acetophenone 3244.33
    methyl propionate 5668.91
    isopentyl acetate 6934.66
    trichloroethylene 16302.89
    n-nonanol 1296.13
    cyclohexanol 6478.49
    benzyl alcohol 1874.96
    2-ethylhexanol 2357.2
    isooctanol 1403.55
    dipropyl ether 4969.71
    1,2-dichlorobenzene 4441.17
    ethyl lactate 1569.94
    propylene carbonate 5366.13
    n-methylformamide 3423.24
    2-pentanol 3970.78
    n-pentane 1232.31
    1-propoxy-2-propanol 3926.4
    1-methoxy-2-propyl acetate 4956.67
    2-(2-methoxypropoxy) propanol 1877.18
    mesitylene 1499.74
    ε-caprolactone 11154.28
    p-cymene 1189.91
    epichlorohydrin 10767.8
    1,1,1-trichloroethane 10988.55
    2-aminoethanol 743.67
    morpholine-4-carbaldehyde 6392.09
    sulfolane 11348.46
    2,2,4-trimethylpentane 524.56
    2-methyltetrahydrofuran 12384.16
    n-hexyl acetate 5986.25
    isooctane 388.36
    2-(2-butoxyethoxy)ethanol 2936.45
    sec-butyl acetate 5555.36
    tert-butyl acetate 7119.33
    decalin 1067.39
    glycerin 513.37
    diglyme 6637.96
    acrylic acid 1643.05
    isopropyl myristate 1616.93
    n-butyric acid 7300.77
    acetyl acetate 4054.32
    di(2-ethylhexyl) phthalate 1011.36
    ethyl propionate 6590.32
    nitromethane 6599.86
    1,2-diethoxyethane 6898.89
    benzonitrile 3792.52
    trioctyl phosphate 835.37
    1-bromopropane 8383.64
    gamma-valerolactone 13138.33
    n-decanol 794.33
    triethyl phosphate 1550.39
    4-methyl-2-pentanol 2090.81
    propionitrile 4694.16
    vinylene carbonate 4161.19
    1,1,2-trichlorotrifluoroethane 5422.78
    DMS 2867.37
    cumene 1221.38
    2-octanol 1366.23
    2-hexanone 6808.32
    octyl acetate 1917.67
    limonene 2498.48
    1,2-dimethoxyethane 7782.94
    ethyl orthosilicate 1622.32
    tributyl phosphate 1276.02
    diacetone alcohol 4966.28
    N,N-dimethylaniline 2057.49
    acrylonitrile 4285.09
    aniline 3239.77
    1,3-propanediol 1777.65
    bromobenzene 5942.32
    dibromomethane 9704.66
    1,1,2,2-tetrachloroethane 14323.31
    2-methyl-cyclohexyl acetate 3127.06
    tetrabutyl urea 1740.29
    diisobutyl methanol 1469.8
    2-phenylethanol 1857.65
    styrene 2765.14
    dioctyl adipate 2230.73
    dimethyl sulfate 2159.49
    ethyl butyrate 5892.26
    methyl lactate 1425.79
    butyl lactate 2903.03
    diethyl carbonate 2697.86
    propanediol butyl ether 2005.16
    triethyl orthoformate 3273.14
    p-tert-butyltoluene 1093.83
    methyl 4-tert-butylbenzoate 2416.51
    morpholine 10923.82
    tert-butylamine 4094.27
    n-dodecanol 563.59
    dimethoxymethane 4598.11
    ethylene carbonate 4334.12
    cyrene 1495.14
    2-ethoxyethyl acetate 5091.75
    2-ethylhexyl acetate 5493.52
    1,2,4-trichlorobenzene 4655.1
    4-methylpyridine 9148.69
    dibutyl ether 5375.28
    2,6-dimethyl-4-heptanol 1469.8
    DEF 10508.58
    dimethyl isosorbide 3622.0
    tetrachloroethylene 8886.74
    eugenol 1847.97
    triacetin 3616.14
    span 80 2005.74
    1,4-butanediol 629.29
    1,1-dichloroethane 11337.52
    2-methyl-1-pentanol 2717.74
    methyl formate 1938.73
    2-methyl-1-butanol 4022.15
    n-decane 374.39
    butyronitrile 6085.94
    3,7-dimethyl-1-octanol 1739.81
    1-chlorooctane 1913.16
    1-chlorotetradecane 504.83
    n-nonane 419.7
    undecane 214.97
    tert-butylcyclohexane 792.66
    cyclooctane 878.23
    cyclopentanol 5591.68
    tetrahydropyran 14776.56
    tert-amyl methyl ether 6053.68
    2,5,8-trioxanonane 3194.19
    1-hexene 4983.67
    2-isopropoxyethanol 2747.48
    2,2,2-trifluoroethanol 790.7
    methyl butyrate 9436.77

    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