2-Naphthalenyl octanoate

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  • Identifiers

    CAS number
    10251-17-9

    Molecular formula
    C18H22O2

    SMILES
    CCCCCCCC(=O)OC1=CC2=CC=CC=C2C=C1

    Safety labels

  • Odor profile

    Fragrance
    Floral 80.5%
    Sweet 51.29%
    Balsamic 51.04%
    Honey 48.82%
    Animal 42.69%
    Rose 41.76%
    Waxy 39.78%
    Herbal 39.69%
    Green 34.73%
    Fatty 32.34%

     

    Flavor
    Waxy 43.59%
    Herbal 37.86%
    Woody 36.9%
    Balsam 34.32%
    Sweet 33.83%
    Oily 32.51%
    Green 29.22%
    Fruity 28.06%
    Mild 27.86%
    Floral 27.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    8.35 (weak base)

    Molecular weight
    270.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    378°C

    Flash point

    • 184.29 ˚C est.

  • Synonyms

    • 2-Naphthyl caprylate
    • 10251-17-9
    • 2-Naphthyl octanoate
    • Octanoic acid, 2-naphthalenyl ester
    • beta-NAPHTHYL CAPRYLATE
    • Octanoic acid, 2-naphthyl ester
    • 1101EWX9DW
    • 2-Naphthalenyl octanoate
    • NSC-60371
    • CHEBI:90250
    • DTXSID70145235
    • RefChem:910127
    • DTXCID9067726
    • 233-591-0
    • naphthalen-2-yl octanoate
    • MFCD00046465
    • Octanoic acid,2-naphthalenyl ester
    • EINECS 233-591-0
    • NSC 60371
    • naphthalen-2-yloctanoate
    • AI3-32845
    • NCIOpen2_002548
    • UNII-1101EWX9DW
    • orb2941725
    • SCHEMBL1825948
    • SCHEMBL31275248
    • .BETA.-NAPHTHYL CAPRYLATE
    • .BETA.-NAPHTHYL OCTANOATE
    • Octanoic acid beta-naphthyl ester
    • NSC60371
    • AKOS022173098
    • EN11356
    • HY-W328599
    • AS-62488
    • CS-0440155
    • NS00023155
    • F81521
    • N-2220
    • Q27162426
    • 10251-17-9

  • Applications

    2-Naphthalenyl octanoate is primarily used as a fragrance ingredient in cosmetics and perfumery, serving as a fragrance component or a fragrance fixative in scent formulations. It is regarded as an aroma compound with relatively long-lasting release, suitable for personal care products and household cleaners where fragrance is important. In industry, this ester can be used as an intermediate in organic synthesis and may be employed as a fragrance additive in coatings, varnishes, and printing inks to impart a characteristic odor. It may also be used as a fragrance additive in polymer or plastic materials to convey a lasting odor. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1509.29
    methanol 1988.21
    isopropanol 629.63
    water 0.12
    ethyl acetate 3019.25
    n-propanol 1211.51
    acetone 4697.26
    n-butanol 929.43
    acetonitrile 2382.1
    DMF 5957.85
    toluene 1167.07
    isobutanol 711.79
    1,4-dioxane 2912.77
    methyl acetate 2678.85
    THF 3700.25
    2-butanone 2987.26
    n-pentanol 586.68
    sec-butanol 641.69
    n-hexane 69.49
    ethylene glycol 78.13
    NMP 3091.59
    cyclohexane 118.69
    DMSO 4449.07
    n-butyl acetate 1522.48
    n-octanol 118.98
    chloroform 5436.97
    n-propyl acetate 1498.43
    acetic acid 1042.01
    dichloromethane 8843.74
    cyclohexanone 3547.8
    propylene glycol 129.25
    isopropyl acetate 1319.71
    DMAc 3459.54
    2-ethoxyethanol 1075.53
    isopentanol 681.96
    n-heptane 23.14
    ethyl formate 1060.06
    1,2-dichloroethane 7684.59
    n-hexanol 423.27
    2-methoxyethanol 1709.65
    isobutyl acetate 816.92
    tetrachloromethane 321.61
    n-pentyl acetate 717.09
    transcutol 4377.37
    n-heptanol 141.1
    ethylbenzene 432.87
    MIBK 955.65
    2-propoxyethanol 1045.72
    tert-butanol 548.47
    MTBE 1240.29
    2-butoxyethanol 471.15
    propionic acid 911.79
    o-xylene 425.94
    formic acid 239.05
    diethyl ether 2701.87
    m-xylene 453.28
    p-xylene 532.3
    chlorobenzene 1845.27
    dimethyl carbonate 948.05
    n-octane 11.61
    formamide 879.34
    cyclopentanone 3742.1
    2-pentanone 2286.16
    anisole 1216.29
    cyclopentyl methyl ether 1885.45
    gamma-butyrolactone 3684.33
    1-methoxy-2-propanol 1025.63
    pyridine 4067.49
    3-pentanone 1862.27
    furfural 2392.89
    n-dodecane 10.37
    diethylene glycol 499.64
    diisopropyl ether 341.22
    tert-amyl alcohol 501.69
    acetylacetone 2456.69
    n-hexadecane 12.82
    acetophenone 991.81
    methyl propionate 2383.36
    isopentyl acetate 1180.3
    trichloroethylene 9226.11
    n-nonanol 121.08
    cyclohexanol 719.96
    benzyl alcohol 661.28
    2-ethylhexanol 248.83
    isooctanol 132.08
    dipropyl ether 586.92
    1,2-dichlorobenzene 1428.42
    ethyl lactate 330.63
    propylene carbonate 1613.62
    n-methylformamide 2188.54
    2-pentanol 451.6
    n-pentane 41.26
    1-propoxy-2-propanol 631.65
    1-methoxy-2-propyl acetate 1203.57
    2-(2-methoxypropoxy) propanol 448.15
    mesitylene 224.31
    ε-caprolactone 2577.67
    p-cymene 144.57
    epichlorohydrin 6014.53
    1,1,1-trichloroethane 2903.52
    2-aminoethanol 308.33
    morpholine-4-carbaldehyde 2560.14
    sulfolane 3608.23
    2,2,4-trimethylpentane 27.93
    2-methyltetrahydrofuran 2767.42
    n-hexyl acetate 795.85
    isooctane 19.05
    2-(2-butoxyethoxy)ethanol 702.8
    sec-butyl acetate 903.92
    tert-butyl acetate 1124.71
    decalin 65.62
    glycerin 168.77
    diglyme 1923.19
    acrylic acid 704.49
    isopropyl myristate 228.43
    n-butyric acid 1385.29
    acetyl acetate 1252.98
    di(2-ethylhexyl) phthalate 196.31
    ethyl propionate 1239.61
    nitromethane 3635.33
    1,2-diethoxyethane 1991.96
    benzonitrile 1054.69
    trioctyl phosphate 119.67
    1-bromopropane 2739.07
    gamma-valerolactone 4131.67
    n-decanol 87.28
    triethyl phosphate 305.74
    4-methyl-2-pentanol 207.42
    propionitrile 1521.22
    vinylene carbonate 1429.21
    1,1,2-trichlorotrifluoroethane 1727.14
    DMS 1061.38
    cumene 212.88
    2-octanol 99.53
    2-hexanone 1367.38
    octyl acetate 293.91
    limonene 235.11
    1,2-dimethoxyethane 2380.55
    ethyl orthosilicate 277.82
    tributyl phosphate 209.64
    diacetone alcohol 812.45
    N,N-dimethylaniline 552.31
    acrylonitrile 1960.76
    aniline 1208.5
    1,3-propanediol 550.49
    bromobenzene 2118.57
    dibromomethane 4710.75
    1,1,2,2-tetrachloroethane 6407.2
    2-methyl-cyclohexyl acetate 522.33
    tetrabutyl urea 290.71
    diisobutyl methanol 132.0
    2-phenylethanol 532.58
    styrene 761.75
    dioctyl adipate 374.82
    dimethyl sulfate 1206.67
    ethyl butyrate 879.46
    methyl lactate 445.91
    butyl lactate 400.0
    diethyl carbonate 553.43
    propanediol butyl ether 312.02
    triethyl orthoformate 441.71
    p-tert-butyltoluene 128.67
    methyl 4-tert-butylbenzoate 459.51
    morpholine 4001.82
    tert-butylamine 318.54
    n-dodecanol 66.01
    dimethoxymethane 3125.58
    ethylene carbonate 1323.31
    cyrene 423.01
    2-ethoxyethyl acetate 1268.27
    2-ethylhexyl acetate 906.22
    1,2,4-trichlorobenzene 1594.23
    4-methylpyridine 3409.02
    dibutyl ether 499.87
    2,6-dimethyl-4-heptanol 132.0
    DEF 3247.9
    dimethyl isosorbide 925.25
    tetrachloroethylene 3319.94
    eugenol 465.1
    triacetin 699.82
    span 80 322.0
    1,4-butanediol 180.0
    1,1-dichloroethane 4408.53
    2-methyl-1-pentanol 525.85
    methyl formate 1272.2
    2-methyl-1-butanol 744.24
    n-decane 17.89
    butyronitrile 1436.26
    3,7-dimethyl-1-octanol 171.24
    1-chlorooctane 148.01
    1-chlorotetradecane 52.93
    n-nonane 16.12
    undecane 12.88
    tert-butylcyclohexane 47.12
    cyclooctane 22.22
    cyclopentanol 777.8
    tetrahydropyran 3481.48
    tert-amyl methyl ether 790.16
    2,5,8-trioxanonane 954.72
    1-hexene 524.63
    2-isopropoxyethanol 654.35
    2,2,2-trifluoroethanol 296.36
    methyl butyrate 1777.3

    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