Octyl octanoate

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  • Identifiers

    CAS number
    2306-88-9

    Molecular formula
    C16H32O2

    SMILES
    CCCCCCCCOC(=O)CCCCCCC

    Retention indicies (RI)

    • Carbowax: 2020.0

  • Odor profile

    Fruity 77.83%
    Oily 74.47%
    Fatty 65.31%
    Winey 61.44%
    Floral 57.37%
    Waxy 56.85%
    Cognac 55.12%
    Sweet 49.11%
    Green 48.42%
    Rose 45.83%

    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

    Melting point expt.

    • -18.1 °C

    Boiling point

    • 306.00 to 307.00 °C. @ 760.00 mm Hg

    Flash point est.
    133.63 ˚C

    Solubility expt.

    • soluble in alcohol; insoluble in water

  • Synonyms

    • Octyl octanoate
    • Octyl caprylate
    • 2306-88-9
    • Octanoic acid, octyl ester
    • n-Octyl caprylate
    • Octyl octylate
    • caprylyl caprylate
    • Fema 2811
    • UNII-MM00XO86JQ
    • MM00XO86JQ
    • FEMA No. 2811
    • EINECS 218-980-5
    • 1-OCTYL OCTANOATE
    • NSC 23957
    • NSC-23957
    • CETIOL 88
    • 1-OCTANOL OCTANOATE
    • N-OCTYL N-OCTANOATE
    • ESTOL 1540EHC
    • AI3-31017
    • OCTYL OCTANOATE [FHFI]
    • DTXSID3062318
    • OCTANOIC ACID OCTYL ESTER
    • WE(8:0/8:0)
    • CAPRYLIC ACID, OCTYL ESTER
    • EC 218-980-5
    • Octyl octanoic acid
    • Fema2811
    • SCHEMBL33760
    • DTXCID7036799
    • Octyl octanoate, >=98%, FG
    • CAPRYLYL CAPRYLATE [INCI]
    • CHEBI:174371
    • NSC23957
    • LMFA07010449
    • NS00007381
    • Q27284107

  • Applications

    Octyl octanoate (CAS 2306-88-9) is a fatty ester of octanol and caprylic acid widely used as a fragrance ingredient in perfumes, a scent-modulating agent in cosmetics and personal-care products, an emollient that enhances skin feel, a carrier solvent for food flavors, a light lubricant and plasticizer for food-contact polymers, an antifoaming additive, and a slip-improving component in inks, coatings and industrial detergents due to its oxidative stability, low volatility and mild odor.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4638.0
    methanol 4042.3
    isopropanol 5577.44
    water 0.06
    ethyl acetate 11645.8
    n-propanol 4918.43
    acetone 14575.58
    n-butanol 4990.1
    acetonitrile 5465.91
    DMF 9934.9
    toluene 3757.68
    isobutanol 4517.16
    1,4-dioxane 7810.9
    methyl acetate 6472.36
    THF 13001.67
    2-butanone 10824.35
    n-pentanol 3112.17
    sec-butanol 5113.7
    n-hexane 2355.36
    ethylene glycol 167.4
    NMP 9023.2
    cyclohexane 4412.39
    DMSO 10423.71
    n-butyl acetate 9234.89
    n-octanol 1691.21
    chloroform 12555.56
    n-propyl acetate 9155.42
    acetic acid 3135.12
    dichloromethane 13938.7
    cyclohexanone 19075.8
    propylene glycol 517.63
    isopropyl acetate 8259.82
    DMAc 7447.66
    2-ethoxyethanol 3438.88
    isopentanol 5152.43
    n-heptane 1072.25
    ethyl formate 4137.52
    1,2-dichloroethane 12430.19
    n-hexanol 2801.91
    2-methoxyethanol 5177.39
    isobutyl acetate 4781.8
    tetrachloromethane 2907.35
    n-pentyl acetate 6658.28
    transcutol 12214.21
    n-heptanol 1576.24
    ethylbenzene 2135.96
    MIBK 6653.95
    2-propoxyethanol 3917.08
    tert-butanol 6963.87
    MTBE 10723.08
    2-butoxyethanol 2983.94
    propionic acid 3472.72
    o-xylene 2373.37
    formic acid 414.28
    diethyl ether 11117.37
    m-xylene 2398.81
    p-xylene 3150.85
    chlorobenzene 5168.45
    dimethyl carbonate 1473.95
    n-octane 382.43
    formamide 1072.84
    cyclopentanone 14333.4
    2-pentanone 11774.6
    anisole 3321.93
    cyclopentyl methyl ether 9752.88
    gamma-butyrolactone 11294.67
    1-methoxy-2-propanol 4881.73
    pyridine 9722.27
    3-pentanone 7180.15
    furfural 7144.14
    n-dodecane 168.92
    diethylene glycol 1408.65
    diisopropyl ether 3516.66
    tert-amyl alcohol 6087.63
    acetylacetone 8811.41
    n-hexadecane 215.92
    acetophenone 3484.42
    methyl propionate 6332.63
    isopentyl acetate 7780.09
    trichloroethylene 17385.46
    n-nonanol 1450.64
    cyclohexanol 7359.46
    benzyl alcohol 2035.09
    2-ethylhexanol 2631.91
    isooctanol 1562.91
    dipropyl ether 5561.32
    1,2-dichlorobenzene 4716.96
    ethyl lactate 1730.14
    propylene carbonate 5918.59
    n-methylformamide 3934.76
    2-pentanol 4552.16
    n-pentane 1413.26
    1-propoxy-2-propanol 4356.28
    1-methoxy-2-propyl acetate 5472.21
    2-(2-methoxypropoxy) propanol 2015.13
    mesitylene 1651.36
    ε-caprolactone 12424.88
    p-cymene 1289.34
    epichlorohydrin 11634.47
    1,1,1-trichloroethane 12042.3
    2-aminoethanol 857.79
    morpholine-4-carbaldehyde 7031.44
    sulfolane 12091.28
    2,2,4-trimethylpentane 579.44
    2-methyltetrahydrofuran 13770.29
    n-hexyl acetate 6690.85
    isooctane 439.52
    2-(2-butoxyethoxy)ethanol 3205.59
    sec-butyl acetate 6272.56
    tert-butyl acetate 8126.67
    decalin 1175.08
    glycerin 585.12
    diglyme 7254.16
    acrylic acid 1865.93
    isopropyl myristate 1780.29
    n-butyric acid 8404.92
    acetyl acetate 4685.26
    di(2-ethylhexyl) phthalate 1091.71
    ethyl propionate 7357.1
    nitromethane 7664.18
    1,2-diethoxyethane 7731.01
    benzonitrile 4156.8
    trioctyl phosphate 913.73
    1-bromopropane 9234.06
    gamma-valerolactone 14385.89
    n-decanol 887.87
    triethyl phosphate 1679.94
    4-methyl-2-pentanol 2388.2
    propionitrile 5403.72
    vinylene carbonate 4587.89
    1,1,2-trichlorotrifluoroethane 5827.36
    DMS 3166.5
    cumene 1326.27
    2-octanol 1545.46
    2-hexanone 7556.48
    octyl acetate 2128.38
    limonene 2729.73
    1,2-dimethoxyethane 8710.7
    ethyl orthosilicate 1765.38
    tributyl phosphate 1391.13
    diacetone alcohol 5597.01
    N,N-dimethylaniline 2201.35
    acrylonitrile 4887.52
    aniline 3574.96
    1,3-propanediol 2075.03
    bromobenzene 6425.06
    dibromomethane 10556.03
    1,1,2,2-tetrachloroethane 15306.35
    2-methyl-cyclohexyl acetate 3368.08
    tetrabutyl urea 1894.38
    diisobutyl methanol 1649.03
    2-phenylethanol 2024.84
    styrene 3025.88
    dioctyl adipate 2412.14
    dimethyl sulfate 2343.39
    ethyl butyrate 6576.34
    methyl lactate 1587.49
    butyl lactate 3187.82
    diethyl carbonate 2965.52
    propanediol butyl ether 2209.55
    triethyl orthoformate 3582.35
    p-tert-butyltoluene 1189.12
    methyl 4-tert-butylbenzoate 2601.87
    morpholine 12226.77
    tert-butylamine 4769.51
    n-dodecanol 630.73
    dimethoxymethane 5193.9
    ethylene carbonate 4853.26
    cyrene 1590.13
    2-ethoxyethyl acetate 5624.49
    2-ethylhexyl acetate 6067.64
    1,2,4-trichlorobenzene 4922.51
    4-methylpyridine 10068.23
    dibutyl ether 6048.12
    2,6-dimethyl-4-heptanol 1649.03
    DEF 11747.52
    dimethyl isosorbide 3825.5
    tetrachloroethylene 9618.62
    eugenol 1978.93
    triacetin 3932.83
    span 80 2181.62
    1,4-butanediol 715.99
    1,1-dichloroethane 12560.31
    2-methyl-1-pentanol 3047.15
    methyl formate 2215.61
    2-methyl-1-butanol 4579.97
    n-decane 426.16
    butyronitrile 6976.93
    3,7-dimethyl-1-octanol 1933.66
    1-chlorooctane 2129.96
    1-chlorotetradecane 559.24
    n-nonane 478.51
    undecane 245.37
    tert-butylcyclohexane 877.85
    cyclooctane 985.8
    cyclopentanol 6325.51
    tetrahydropyran 16707.87
    tert-amyl methyl ether 6812.96
    2,5,8-trioxanonane 3458.97
    1-hexene 5638.44
    2-isopropoxyethanol 3048.9
    2,2,2-trifluoroethanol 905.61
    methyl butyrate 10525.58

    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

Botanical

Name CAS Botanical Proportion
Zosima absinthifolia fruit Zosima absinthifolia (Vent.) Link, fam. Apiaceae (Umbelliferae) 6.0%
Tordylium apulum fruit (Turkey) Tordylium apulum L., fam. Apiaceae (Umbelliferae) 34.5%
Tordylium pustulosum fruit (Turkey) Tordylium pustulosum Boiss., fam. Apiaceae (Umbelliferae) 0.7%