Pentyl octanoate

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  • Identifiers

    CAS number
    638-25-5

    Molecular formula
    C13H26O2

    SMILES
    CCCCCCCC(=O)OCCCCC

  • Odor profile

    Fragrance
    Fruity 91.67%
    Green 72.84%
    Winey 71.84%
    Oily 71.47%
    Cognac 58.77%
    Fatty 57.28%
    Sweet 54.16%
    Herbal 51.16%
    Waxy 50.22%
    Apple 48.06%

     

    Flavor
    Fruity 74.59%
    Waxy 62.69%
    Green 58.41%
    Sweet 57.62%
    Soapy 41.85%
    Herbal 41.77%
    Wine 41.42%
    Oily 41.42%
    Apple 41.14%
    Pear 39.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.74 (neutral)

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Melting point expt.

    • -34 - -35 °C

    Flash point

    • 110.25 ˚C est.

    Solubility expt.

    • soluble in alcohol, most fixed oils; slightly soluble in propylene glycol; insoluble in glycerol, water
    • 1 ml in 7 ml 80% alcohol (in ethanol)

  • Synonyms

    • Pentyl octanoate
    • Amyl octanoate
    • 638-25-5
    • Amyl caprylate
    • Amyl n-Octanoate
    • OCTANOIC ACID, PENTYL ESTER
    • Amyl octoate
    • Amyl octylate
    • Pentyl octylate
    • N-Amyl octanoate
    • n-Caprylic acid n-amyl ester
    • N-Amyl n-octanoate
    • FEMA No. 2079
    • FEMA 2079
    • 1KWP15429R
    • EINECS 211-328-0
    • NSC 23940
    • NSC-23940
    • AMYL OCTANOATE [FCC]
    • AMYL OCTANOATE [FHFI]
    • AI3-24295
    • DTXSID5060932
    • CHEBI:165637
    • Pentyl n-Octanoate
    • MFCD00048919
    • n-Octanoic Acid Amyl Ester
    • UNII-1KWP15429R
    • n-amyl caprylate
    • starbld0009577
    • Octanoic acid,pentylester
    • Fema2079
    • octanoic acid pentyl ester
    • SCHEMBL333103
    • DTXCID0044107
    • N-Amyl octanoate, >=98%, FG
    • NSC23940
    • LMFA07010992
    • AKOS024438013
    • HY-W127548
    • AS-75578
    • CS-0185773
    • NS00011975
    • O0028
    • WE(5:0/8:0)
    • E79203
    • Q27252552
    • 211-328-0

  • Applications

    Pentyl octanoate (CAS 638-25-5) is primarily used as an aroma ingredient in fragrance and cosmetic formulations, delivering a fruity, sweet note in perfumes, skin-care creams, and other personal care products; it is also evaluated as a flavor/aroma additive in some food and beverage applications; in household products such as air fresheners and scented cleaners, it contributes fragrance, while in certain industrial formulations it may serve as a solvent or processing aid for specialty scent compounds. Overall, its applications center on fragrance, flavor, and scent-related roles across cosmetics, household products, and selected industrial contexts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9634.88
    methanol 10601.24
    isopropanol 9105.61
    water 0.12
    ethyl acetate 12341.02
    n-propanol 8124.77
    acetone 20540.64
    n-butanol 7636.87
    acetonitrile 9695.39
    DMF 11745.48
    toluene 4202.76
    isobutanol 6870.47
    1,4-dioxane 9447.04
    methyl acetate 7306.69
    THF 13217.92
    2-butanone 12093.92
    n-pentanol 4735.81
    sec-butanol 7642.51
    n-hexane 3413.14
    ethylene glycol 495.39
    NMP 8038.53
    cyclohexane 4439.96
    DMSO 13090.77
    n-butyl acetate 10081.27
    n-octanol 1936.87
    chloroform 14973.18
    n-propyl acetate 8332.31
    acetic acid 5558.67
    dichloromethane 15671.97
    cyclohexanone 17771.6
    propylene glycol 1045.14
    isopropyl acetate 8025.4
    DMAc 6939.03
    2-ethoxyethanol 4323.18
    isopentanol 7102.85
    n-heptane 1040.31
    ethyl formate 5000.62
    1,2-dichloroethane 13214.75
    n-hexanol 4471.53
    2-methoxyethanol 7051.46
    isobutyl acetate 4228.96
    tetrachloromethane 2981.2
    n-pentyl acetate 5363.86
    transcutol 13441.16
    n-heptanol 1786.44
    ethylbenzene 2364.12
    MIBK 5838.06
    2-propoxyethanol 5158.54
    tert-butanol 9614.01
    MTBE 12138.52
    2-butoxyethanol 3008.63
    propionic acid 4770.07
    o-xylene 2309.71
    formic acid 966.41
    diethyl ether 12920.05
    m-xylene 2435.51
    p-xylene 3230.63
    chlorobenzene 5658.06
    dimethyl carbonate 1459.44
    n-octane 366.01
    formamide 1955.59
    cyclopentanone 13099.55
    2-pentanone 12357.93
    anisole 3485.2
    cyclopentyl methyl ether 8883.05
    gamma-butyrolactone 10893.17
    1-methoxy-2-propanol 5727.3
    pyridine 11318.48
    3-pentanone 7132.56
    furfural 7034.64
    n-dodecane 178.83
    diethylene glycol 2290.77
    diisopropyl ether 3429.01
    tert-amyl alcohol 7787.43
    acetylacetone 8659.67
    n-hexadecane 222.35
    acetophenone 3307.8
    methyl propionate 6202.27
    isopentyl acetate 7705.83
    trichloroethylene 18630.71
    n-nonanol 1580.53
    cyclohexanol 8753.26
    benzyl alcohol 2475.56
    2-ethylhexanol 3218.13
    isooctanol 1619.27
    dipropyl ether 5213.82
    1,2-dichlorobenzene 4568.21
    ethyl lactate 1657.64
    propylene carbonate 5500.11
    n-methylformamide 5403.35
    2-pentanol 6154.63
    n-pentane 1892.65
    1-propoxy-2-propanol 4904.93
    1-methoxy-2-propyl acetate 4985.55
    2-(2-methoxypropoxy) propanol 2170.69
    mesitylene 1602.03
    ε-caprolactone 11500.52
    p-cymene 1201.34
    epichlorohydrin 11371.68
    1,1,1-trichloroethane 12124.77
    2-aminoethanol 1791.14
    morpholine-4-carbaldehyde 6698.27
    sulfolane 10617.4
    2,2,4-trimethylpentane 598.88
    2-methyltetrahydrofuran 13709.12
    n-hexyl acetate 5974.24
    isooctane 479.62
    2-(2-butoxyethoxy)ethanol 3447.21
    sec-butyl acetate 5239.44
    tert-butyl acetate 6755.5
    decalin 1192.85
    glycerin 1130.21
    diglyme 6830.78
    acrylic acid 2969.39
    isopropyl myristate 1551.22
    n-butyric acid 10098.37
    acetyl acetate 4973.18
    di(2-ethylhexyl) phthalate 1125.92
    ethyl propionate 6303.56
    nitromethane 10596.55
    1,2-diethoxyethane 7702.62
    benzonitrile 4784.47
    trioctyl phosphate 888.8
    1-bromopropane 10384.43
    gamma-valerolactone 13025.33
    n-decanol 990.57
    triethyl phosphate 1425.92
    4-methyl-2-pentanol 2803.92
    propionitrile 7531.81
    vinylene carbonate 4651.2
    1,1,2-trichlorotrifluoroethane 6282.82
    DMS 2831.05
    cumene 1365.55
    2-octanol 1668.81
    2-hexanone 7944.34
    octyl acetate 1890.21
    limonene 2457.76
    1,2-dimethoxyethane 9414.08
    ethyl orthosilicate 1511.56
    tributyl phosphate 1336.83
    diacetone alcohol 4984.13
    N,N-dimethylaniline 2145.74
    acrylonitrile 7008.88
    aniline 4422.33
    1,3-propanediol 3399.24
    bromobenzene 6853.13
    dibromomethane 12045.51
    1,1,2,2-tetrachloroethane 15265.13
    2-methyl-cyclohexyl acetate 2938.3
    tetrabutyl urea 1682.97
    diisobutyl methanol 1718.65
    2-phenylethanol 2480.54
    styrene 3414.13
    dioctyl adipate 2081.63
    dimethyl sulfate 2142.46
    ethyl butyrate 5577.71
    methyl lactate 1690.09
    butyl lactate 2835.38
    diethyl carbonate 2584.77
    propanediol butyl ether 2512.87
    triethyl orthoformate 2926.17
    p-tert-butyltoluene 1119.75
    methyl 4-tert-butylbenzoate 2223.18
    morpholine 13748.74
    tert-butylamine 6825.36
    n-dodecanol 697.2
    dimethoxymethane 5524.86
    ethylene carbonate 4690.98
    cyrene 1574.78
    2-ethoxyethyl acetate 4800.62
    2-ethylhexyl acetate 5894.54
    1,2,4-trichlorobenzene 4760.03
    4-methylpyridine 10974.3
    dibutyl ether 5435.48
    2,6-dimethyl-4-heptanol 1718.65
    DEF 11031.46
    dimethyl isosorbide 3542.57
    tetrachloroethylene 9937.27
    eugenol 1972.52
    triacetin 3269.95
    span 80 2331.54
    1,4-butanediol 1241.79
    1,1-dichloroethane 13874.79
    2-methyl-1-pentanol 4199.38
    methyl formate 3086.2
    2-methyl-1-butanol 6219.56
    n-decane 414.37
    butyronitrile 9868.08
    3,7-dimethyl-1-octanol 2082.7
    1-chlorooctane 1955.82
    1-chlorotetradecane 536.0
    n-nonane 473.52
    undecane 251.52
    tert-butylcyclohexane 945.71
    cyclooctane 931.01
    cyclopentanol 7269.55
    tetrahydropyran 18377.24
    tert-amyl methyl ether 6929.31
    2,5,8-trioxanonane 3639.33
    1-hexene 8377.25
    2-isopropoxyethanol 3428.23
    2,2,2-trifluoroethanol 1309.62
    methyl butyrate 9643.06

    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