Amyl heptanoate

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  • Identifiers

    CAS number
    7493-82-5

    Molecular formula
    C12H24O2

    SMILES
    CCCCCCC(=O)OCCCCC

  • Odor profile

    Fruity 94.31%
    Green 81.37%
    Winey 67.8%
    Oily 62.78%
    Apple 59.89%
    Sweet 56.4%
    Cognac 52.83%
    Herbal 51.06%
    Fatty 50.16%
    Waxy 49.01%

    Scent© AI

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.9 (neutral)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Melting point expt.

    • -49.5 °C

    Flash point est.
    103.42 ˚C

    Solubility expt.

    • soluble in most organic solvents
    • 1 ml in 1 ml 95% alcohol (in ethanol)

  • Synonyms

    • Pentyl heptanoate
    • AMYL HEPTANOATE
    • 7493-82-5
    • Heptanoic acid, pentyl ester
    • Amyl heptylate
    • Amyl heptoate
    • Amyl oenanthate
    • Fema 2073
    • FEMA No. 2073
    • amyl enanthate
    • I91PDA80HT
    • N-AMYL HEPTANOATE
    • EINECS 231-342-0
    • NSC 46129
    • NSC-46129
    • AMYL HEPTANOATE [FCC]
    • AI3-33582
    • AMYL HEPTANOATE [FHFI]
    • DTXSID3064724
    • Amyl-heptanoate
    • UNII-I91PDA80HT
    • heptanoic acid pentyl ester
    • SCHEMBL522623
    • DTXCID7047722
    • CHEBI:179752
    • NSC46129
    • LMFA07010991
    • NS00022754
    • Q27280597
    • 231-342-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9113.25
    methanol 10587.95
    isopropanol 7856.94
    water 0.19
    ethyl acetate 11652.02
    n-propanol 7419.47
    acetone 20086.75
    n-butanol 7115.08
    acetonitrile 10209.05
    DMF 13469.64
    toluene 4705.16
    isobutanol 6357.8
    1,4-dioxane 9211.35
    methyl acetate 7177.94
    THF 13294.96
    2-butanone 12076.86
    n-pentanol 4397.68
    sec-butanol 6965.22
    n-hexane 3304.5
    ethylene glycol 616.96
    NMP 9486.31
    cyclohexane 4161.18
    DMSO 14973.59
    n-butyl acetate 9548.9
    n-octanol 1820.42
    chloroform 16629.41
    n-propyl acetate 7543.49
    acetic acid 6325.79
    dichloromethane 17076.76
    cyclohexanone 18169.95
    propylene glycol 1149.16
    isopropyl acetate 7192.47
    DMAc 7662.69
    2-ethoxyethanol 4191.34
    isopentanol 6666.03
    n-heptane 914.02
    ethyl formate 4989.17
    1,2-dichloroethane 14263.5
    n-hexanol 4364.71
    2-methoxyethanol 7076.77
    isobutyl acetate 3836.13
    tetrachloromethane 3232.94
    n-pentyl acetate 4903.48
    transcutol 13803.81
    n-heptanol 1636.9
    ethylbenzene 2561.37
    MIBK 5470.63
    2-propoxyethanol 5202.32
    tert-butanol 8773.09
    MTBE 11035.69
    2-butoxyethanol 2844.6
    propionic acid 5150.63
    o-xylene 2501.26
    formic acid 1285.6
    diethyl ether 11838.94
    m-xylene 2659.6
    p-xylene 3499.53
    chlorobenzene 6420.45
    dimethyl carbonate 1663.09
    n-octane 317.6
    formamide 2494.72
    cyclopentanone 13986.13
    2-pentanone 11924.69
    anisole 3809.18
    cyclopentyl methyl ether 8846.17
    gamma-butyrolactone 11920.22
    1-methoxy-2-propanol 5541.4
    pyridine 12414.98
    3-pentanone 7255.76
    furfural 7991.42
    n-dodecane 160.02
    diethylene glycol 2481.5
    diisopropyl ether 3125.49
    tert-amyl alcohol 7401.55
    acetylacetone 8637.61
    n-hexadecane 199.97
    acetophenone 3654.19
    methyl propionate 6294.12
    isopentyl acetate 7215.1
    trichloroethylene 21277.31
    n-nonanol 1484.48
    cyclohexanol 8346.02
    benzyl alcohol 2676.29
    2-ethylhexanol 3059.12
    isooctanol 1473.54
    dipropyl ether 4532.41
    1,2-dichlorobenzene 5264.84
    ethyl lactate 1621.96
    propylene carbonate 5782.55
    n-methylformamide 6016.6
    2-pentanol 5608.42
    n-pentane 1829.14
    1-propoxy-2-propanol 4687.39
    1-methoxy-2-propyl acetate 4829.35
    2-(2-methoxypropoxy) propanol 2259.21
    mesitylene 1688.85
    ε-caprolactone 11489.37
    p-cymene 1207.71
    epichlorohydrin 12215.07
    1,1,1-trichloroethane 12883.59
    2-aminoethanol 1977.38
    morpholine-4-carbaldehyde 7353.78
    sulfolane 12022.94
    2,2,4-trimethylpentane 605.26
    2-methyltetrahydrofuran 13219.21
    n-hexyl acetate 5677.09
    isooctane 461.0
    2-(2-butoxyethoxy)ethanol 3581.88
    sec-butyl acetate 4719.0
    tert-butyl acetate 6187.69
    decalin 1201.69
    glycerin 1311.27
    diglyme 6896.94
    acrylic acid 3559.56
    isopropyl myristate 1471.96
    n-butyric acid 9747.35
    acetyl acetate 4941.57
    di(2-ethylhexyl) phthalate 1157.09
    ethyl propionate 5785.66
    nitromethane 11669.22
    1,2-diethoxyethane 7152.96
    benzonitrile 5308.73
    trioctyl phosphate 873.07
    1-bromopropane 10507.0
    gamma-valerolactone 13156.09
    n-decanol 941.29
    triethyl phosphate 1408.19
    4-methyl-2-pentanol 2577.76
    propionitrile 7612.53
    vinylene carbonate 5086.81
    1,1,2-trichlorotrifluoroethane 7135.03
    DMS 3011.91
    cumene 1434.11
    2-octanol 1519.68
    2-hexanone 7600.9
    octyl acetate 1792.41
    limonene 2378.92
    1,2-dimethoxyethane 8860.65
    ethyl orthosilicate 1485.19
    tributyl phosphate 1362.68
    diacetone alcohol 4787.55
    N,N-dimethylaniline 2350.47
    acrylonitrile 7702.49
    aniline 4987.34
    1,3-propanediol 3413.78
    bromobenzene 7745.65
    dibromomethane 12923.7
    1,1,2,2-tetrachloroethane 17244.01
    2-methyl-cyclohexyl acetate 2885.14
    tetrabutyl urea 1713.16
    diisobutyl methanol 1586.53
    2-phenylethanol 2681.04
    styrene 3776.78
    dioctyl adipate 2070.98
    dimethyl sulfate 2557.75
    ethyl butyrate 5018.37
    methyl lactate 1790.53
    butyl lactate 2781.34
    diethyl carbonate 2487.53
    propanediol butyl ether 2586.88
    triethyl orthoformate 2724.66
    p-tert-butyltoluene 1123.55
    methyl 4-tert-butylbenzoate 2247.11
    morpholine 13350.75
    tert-butylamine 6378.98
    n-dodecanol 665.62
    dimethoxymethane 5569.29
    ethylene carbonate 4804.43
    cyrene 1673.9
    2-ethoxyethyl acetate 4583.68
    2-ethylhexyl acetate 5623.69
    1,2,4-trichlorobenzene 5448.2
    4-methylpyridine 12228.79
    dibutyl ether 4861.64
    2,6-dimethyl-4-heptanol 1586.53
    DEF 11362.38
    dimethyl isosorbide 3682.78
    tetrachloroethylene 10956.32
    eugenol 2108.98
    triacetin 3255.25
    span 80 2409.3
    1,4-butanediol 1278.16
    1,1-dichloroethane 14448.36
    2-methyl-1-pentanol 4073.87
    methyl formate 3564.99
    2-methyl-1-butanol 5953.77
    n-decane 360.47
    butyronitrile 9890.52
    3,7-dimethyl-1-octanol 2034.28
    1-chlorooctane 1835.66
    1-chlorotetradecane 516.38
    n-nonane 413.82
    undecane 221.87
    tert-butylcyclohexane 945.76
    cyclooctane 877.51
    cyclopentanol 7022.48
    tetrahydropyran 17071.65
    tert-amyl methyl ether 6603.13
    2,5,8-trioxanonane 3696.24
    1-hexene 7856.79
    2-isopropoxyethanol 3325.75
    2,2,2-trifluoroethanol 1524.51
    methyl butyrate 9218.98

    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