3-Octanol formate

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  • Identifiers

    CAS number
    84434-65-1

    Molecular formula
    C9H18O2

    SMILES
    CCCCCC(CC)OC=O

  • Odor profile

    Fragrance
    Green 90.7%
    Fruity 82.7%
    Waxy 64.69%
    Floral 60.57%
    Apple 53.58%
    Citrus 47.43%
    Fresh 47.09%
    Tropical 46.79%
    Fatty 44.95%
    Leafy 44.91%

     

    Flavor
    Green 75.56%
    Fruity 51.7%
    Herbal 50.59%
    Waxy 48.77%
    Fresh 47.24%
    Floral 39.34%
    Earthy 38.29%
    Mushroom 36.68%
    Sweet 35.04%
    Citrus 34.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.27 (weak base)

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    179°C

    Flash point

    • 63.86 ˚C est.

    Solubility expt.

    • Soluble in fats and oils; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • octan-3-yl formate
    • 3-Octyl formate
    • 3-Octanol formate
    • 84434-65-1
    • 3-Octanol, 3-formate
    • 2V9K8OE808
    • EINECS 282-866-1
    • UNII-2V9K8OE808
    • FEMA NO. 4009
    • DTXSID70868816
    • OCTAN-3-YL FORMATE, (+/-)-
    • (+/-)-OCTAN-3-YL FORMATE [FHFI]
    • 3 OCTYL FORMATE
    • octan-3-yl ormate
    • 3-OCTANOL, FORMATE
    • SCHEMBL276891
    • DTXCID40816884
    • CHEBI:179884
    • PPJCPDSDDKESKL-UHFFFAOYSA-N
    • 3-Octanol, formate (7CI,9CI)
    • (+/-)-OCTAN-3-YL FORMATE
    • AKOS006292901
    • NS00124448
    • Q27255641
    • 282-866-1

  • Applications

    3-Octanol formate (CAS 84434-65-1) is the formate ester of 3-octanol. In practice, it is primarily used as a fragrance ingredient and odorant, with potential to function as a fixative and scent carrier in perfumery, cosmetics, and household products. It is also evaluated as an intermediate for the synthesis of other esters and fragrance compounds. In industrial manufacturing, it may be used as a solvent or processing aid in coatings and inks and related resin formulations to assist solubility and formulation stability. Depending on local regulations and formulation limits, its use is typically guided by product specifications and ingredient compatibility.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8351.55
    methanol 9273.46
    isopropanol 6488.64
    water 0.25
    ethyl acetate 5802.76
    n-propanol 6036.37
    acetone 10130.24
    n-butanol 5289.97
    acetonitrile 5598.19
    DMF 5480.45
    toluene 1703.39
    isobutanol 4332.55
    1,4-dioxane 6067.01
    methyl acetate 3993.36
    THF 8287.48
    2-butanone 6020.15
    n-pentanol 3298.94
    sec-butanol 4681.52
    n-hexane 1072.0
    ethylene glycol 573.71
    NMP 3382.5
    cyclohexane 1593.74
    DMSO 6258.18
    n-butyl acetate 5108.35
    n-octanol 922.86
    chloroform 8347.16
    n-propyl acetate 3647.89
    acetic acid 3793.81
    dichloromethane 8558.62
    cyclohexanone 7933.52
    propylene glycol 961.52
    isopropyl acetate 3114.76
    DMAc 2269.96
    2-ethoxyethanol 2513.45
    isopentanol 4162.18
    n-heptane 420.52
    ethyl formate 3137.36
    1,2-dichloroethane 6417.15
    n-hexanol 3398.61
    2-methoxyethanol 4645.17
    isobutyl acetate 1750.4
    tetrachloromethane 1523.27
    n-pentyl acetate 1945.0
    transcutol 5927.97
    n-heptanol 917.8
    ethylbenzene 830.0
    MIBK 2286.59
    2-propoxyethanol 3695.11
    tert-butanol 6296.55
    MTBE 5362.4
    2-butoxyethanol 1574.86
    propionic acid 3280.55
    o-xylene 818.38
    formic acid 791.71
    diethyl ether 6391.56
    m-xylene 980.71
    p-xylene 1077.77
    chlorobenzene 2675.27
    dimethyl carbonate 623.71
    n-octane 137.64
    formamide 1253.38
    cyclopentanone 6389.79
    2-pentanone 5357.81
    anisole 1486.34
    cyclopentyl methyl ether 4315.29
    gamma-butyrolactone 6118.79
    1-methoxy-2-propanol 3284.21
    pyridine 5662.47
    3-pentanone 2777.58
    furfural 3563.47
    n-dodecane 76.03
    diethylene glycol 1798.5
    diisopropyl ether 1374.34
    tert-amyl alcohol 4203.73
    acetylacetone 3475.16
    n-hexadecane 91.86
    acetophenone 1251.27
    methyl propionate 3029.96
    isopentyl acetate 3587.25
    trichloroethylene 8954.24
    n-nonanol 734.93
    cyclohexanol 4361.68
    benzyl alcohol 1281.05
    2-ethylhexanol 1786.56
    isooctanol 760.51
    dipropyl ether 2493.99
    1,2-dichlorobenzene 1904.33
    ethyl lactate 751.2
    propylene carbonate 2924.09
    n-methylformamide 3347.9
    2-pentanol 3410.4
    n-pentane 785.48
    1-propoxy-2-propanol 2999.2
    1-methoxy-2-propyl acetate 2394.63
    2-(2-methoxypropoxy) propanol 1029.78
    mesitylene 619.71
    ε-caprolactone 5307.35
    p-cymene 518.19
    epichlorohydrin 6651.67
    1,1,1-trichloroethane 5595.22
    2-aminoethanol 1600.96
    morpholine-4-carbaldehyde 3075.42
    sulfolane 5124.16
    2,2,4-trimethylpentane 235.87
    2-methyltetrahydrofuran 7318.65
    n-hexyl acetate 2125.93
    isooctane 203.66
    2-(2-butoxyethoxy)ethanol 1562.85
    sec-butyl acetate 2015.41
    tert-butyl acetate 2651.69
    decalin 382.51
    glycerin 912.79
    diglyme 2959.78
    acrylic acid 2132.03
    isopropyl myristate 626.47
    n-butyric acid 5804.94
    acetyl acetate 2070.55
    di(2-ethylhexyl) phthalate 481.32
    ethyl propionate 2380.23
    nitromethane 5736.67
    1,2-diethoxyethane 3294.96
    benzonitrile 2345.8
    trioctyl phosphate 391.39
    1-bromopropane 5147.32
    gamma-valerolactone 6211.93
    n-decanol 482.33
    triethyl phosphate 579.15
    4-methyl-2-pentanol 1413.4
    propionitrile 4830.53
    vinylene carbonate 2428.24
    1,1,2-trichlorotrifluoroethane 3247.02
    DMS 1118.51
    cumene 480.83
    2-octanol 723.99
    2-hexanone 3507.93
    octyl acetate 757.2
    limonene 1023.18
    1,2-dimethoxyethane 5066.74
    ethyl orthosilicate 608.46
    tributyl phosphate 551.6
    diacetone alcohol 2265.88
    N,N-dimethylaniline 781.79
    acrylonitrile 4782.05
    aniline 2167.29
    1,3-propanediol 2472.8
    bromobenzene 2951.81
    dibromomethane 6463.33
    1,1,2,2-tetrachloroethane 6683.14
    2-methyl-cyclohexyl acetate 1209.28
    tetrabutyl urea 644.29
    diisobutyl methanol 882.89
    2-phenylethanol 1432.89
    styrene 1256.34
    dioctyl adipate 822.95
    dimethyl sulfate 870.18
    ethyl butyrate 2369.7
    methyl lactate 896.3
    butyl lactate 1160.38
    diethyl carbonate 1171.41
    propanediol butyl ether 1283.55
    triethyl orthoformate 1211.19
    p-tert-butyltoluene 502.56
    methyl 4-tert-butylbenzoate 830.26
    morpholine 8600.55
    tert-butylamine 4186.96
    n-dodecanol 342.22
    dimethoxymethane 2808.79
    ethylene carbonate 2371.76
    cyrene 773.07
    2-ethoxyethyl acetate 1939.46
    2-ethylhexyl acetate 2487.73
    1,2,4-trichlorobenzene 1990.17
    4-methylpyridine 5132.56
    dibutyl ether 1842.85
    2,6-dimethyl-4-heptanol 882.89
    DEF 4400.51
    dimethyl isosorbide 1733.83
    tetrachloroethylene 4748.5
    eugenol 869.42
    triacetin 1207.47
    span 80 1134.83
    1,4-butanediol 917.08
    1,1-dichloroethane 7659.92
    2-methyl-1-pentanol 2489.42
    methyl formate 2034.42
    2-methyl-1-butanol 3505.35
    n-decane 157.72
    butyronitrile 5753.81
    3,7-dimethyl-1-octanol 1000.9
    1-chlorooctane 732.75
    1-chlorotetradecane 218.45
    n-nonane 177.19
    undecane 104.71
    tert-butylcyclohexane 345.07
    cyclooctane 312.37
    cyclopentanol 4345.88
    tetrahydropyran 9652.12
    tert-amyl methyl ether 2841.16
    2,5,8-trioxanonane 1618.54
    1-hexene 3458.95
    2-isopropoxyethanol 1856.8
    2,2,2-trifluoroethanol 750.01
    methyl butyrate 4057.66

    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