Benzoic acid, 2-amino-, decyl ester

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  • Identifiers

    CAS number
    18189-07-6

    Molecular formula
    C17H27NO2

    SMILES
    CCCCCCCCCCOC(=O)C1=CC=CC=C1N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 71.85%
    Sweet 60.1%
    Fresh 46.92%
    Grape 46.11%
    Citrus 45.99%
    Orange 44.43%
    Neroli 39.7%
    Fruity 39.24%
    Rose 38.3%
    Waxy 35.97%

     

    Flavor
    Herbal 40.41%
    Waxy 36.69%
    Oily 34.96%
    Fruity 34.77%
    Woody 33.86%
    Floral 31.37%
    Mild 29.99%
    Balsam 29.92%
    Jasmin 24.43%
    Green 24.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.7

    pKa est.
    5.72 (weak acid)

    Molecular weight
    277.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    368°C

    Flash point

    • 181.68 ˚C est.

  • Synonyms

    • Decyl anthranilate
    • Decyl 2-aminobenzoate
    • 18189-07-6
    • Benzoic acid, 2-amino-, decyl ester
    • B99YZ6BC3M
    • 2-aminobenzoic acid decyl ester
    • EINECS 242-077-5
    • DTXSID9066336
    • Decyl 2-aminobenzoate #
    • UNII-B99YZ6BC3M
    • SCHEMBL873445
    • DTXCID6035784
    • AKOS012757943
    • NS00012202
    • D85944
    • 242-077-5

  • Applications

    Benzoic acid, 2-amino-, decyl ester (CAS 18189-07-6) is an anthranilate-derived ester bearing a decyl group; in industrial practice, it is viewed as an intermediate for the synthesis of pharmaceuticals and agrochemicals and may be employed as a UV-absorber in cosmetic and personal care formulations. In addition, anthranilate esters are often used as fragrance ingredients and fixatives in perfumery, and the lipophilic character of the decyl chain supports its role as a building block for dye and polymer chemistry, or as a specialty additive in coatings and inks, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5240.33
    methanol 5527.9
    isopropanol 3721.03
    water 0.25
    ethyl acetate 4057.07
    n-propanol 4459.71
    acetone 10812.04
    n-butanol 3134.29
    acetonitrile 4583.36
    DMF 7182.22
    toluene 969.32
    isobutanol 2546.47
    1,4-dioxane 3746.13
    methyl acetate 2878.55
    THF 6143.19
    2-butanone 4722.82
    n-pentanol 1304.81
    sec-butanol 2318.9
    n-hexane 47.83
    ethylene glycol 232.03
    NMP 4239.01
    cyclohexane 222.74
    DMSO 9648.57
    n-butyl acetate 1507.54
    n-octanol 220.37
    chloroform 6074.78
    n-propyl acetate 1944.1
    acetic acid 2722.31
    dichloromethane 7613.42
    cyclohexanone 6579.69
    propylene glycol 595.72
    isopropyl acetate 1995.29
    DMAc 3473.25
    2-ethoxyethanol 1727.69
    isopentanol 1895.0
    n-heptane 19.84
    ethyl formate 2158.18
    1,2-dichloroethane 7212.38
    n-hexanol 746.71
    2-methoxyethanol 4006.28
    isobutyl acetate 853.7
    tetrachloromethane 692.86
    n-pentyl acetate 906.39
    transcutol 3644.09
    n-heptanol 299.39
    ethylbenzene 289.4
    MIBK 1473.24
    2-propoxyethanol 1476.21
    tert-butanol 2608.84
    MTBE 2180.99
    2-butoxyethanol 813.56
    propionic acid 2048.56
    o-xylene 415.16
    formic acid 572.55
    diethyl ether 2755.84
    m-xylene 439.48
    p-xylene 418.97
    chlorobenzene 1937.82
    dimethyl carbonate 840.04
    n-octane 10.57
    formamide 1602.06
    cyclopentanone 7054.1
    2-pentanone 4170.95
    anisole 786.56
    cyclopentyl methyl ether 2497.31
    gamma-butyrolactone 6172.32
    1-methoxy-2-propanol 2608.67
    pyridine 4275.62
    3-pentanone 2074.51
    furfural 3219.26
    n-dodecane 9.81
    diethylene glycol 776.53
    diisopropyl ether 386.98
    tert-amyl alcohol 1584.57
    acetylacetone 3450.57
    n-hexadecane 11.93
    acetophenone 849.4
    methyl propionate 2554.24
    isopentyl acetate 1137.68
    trichloroethylene 9274.04
    n-nonanol 201.76
    cyclohexanol 2303.27
    benzyl alcohol 737.02
    2-ethylhexanol 338.75
    isooctanol 257.73
    dipropyl ether 527.42
    1,2-dichlorobenzene 1376.15
    ethyl lactate 518.22
    propylene carbonate 2499.37
    n-methylformamide 4011.61
    2-pentanol 1411.86
    n-pentane 50.83
    1-propoxy-2-propanol 955.05
    1-methoxy-2-propyl acetate 1117.05
    2-(2-methoxypropoxy) propanol 424.24
    mesitylene 234.94
    ε-caprolactone 3865.28
    p-cymene 134.01
    epichlorohydrin 7685.19
    1,1,1-trichloroethane 4145.49
    2-aminoethanol 1076.47
    morpholine-4-carbaldehyde 2910.15
    sulfolane 6610.66
    2,2,4-trimethylpentane 35.8
    2-methyltetrahydrofuran 4672.97
    n-hexyl acetate 851.16
    isooctane 24.42
    2-(2-butoxyethoxy)ethanol 816.81
    sec-butyl acetate 935.59
    tert-butyl acetate 1527.22
    decalin 58.27
    glycerin 581.6
    diglyme 1963.09
    acrylic acid 1323.31
    isopropyl myristate 214.6
    n-butyric acid 4144.32
    acetyl acetate 1703.02
    di(2-ethylhexyl) phthalate 200.87
    ethyl propionate 1334.96
    nitromethane 6883.02
    1,2-diethoxyethane 1351.41
    benzonitrile 1289.03
    trioctyl phosphate 157.25
    1-bromopropane 2756.22
    gamma-valerolactone 6980.83
    n-decanol 132.7
    triethyl phosphate 274.22
    4-methyl-2-pentanol 475.48
    propionitrile 2901.7
    vinylene carbonate 1874.81
    1,1,2-trichlorotrifluoroethane 3002.09
    DMS 701.41
    cumene 157.73
    2-octanol 196.71
    2-hexanone 1737.44
    octyl acetate 306.19
    limonene 261.55
    1,2-dimethoxyethane 2931.59
    ethyl orthosilicate 254.1
    tributyl phosphate 219.12
    diacetone alcohol 1540.47
    N,N-dimethylaniline 373.01
    acrylonitrile 3013.06
    aniline 1531.86
    1,3-propanediol 1958.95
    bromobenzene 1897.25
    dibromomethane 4385.86
    1,1,2,2-tetrachloroethane 6946.19
    2-methyl-cyclohexyl acetate 507.94
    tetrabutyl urea 299.93
    diisobutyl methanol 170.08
    2-phenylethanol 539.62
    styrene 483.06
    dioctyl adipate 345.12
    dimethyl sulfate 1327.61
    ethyl butyrate 855.65
    methyl lactate 863.54
    butyl lactate 617.22
    diethyl carbonate 492.68
    propanediol butyl ether 624.73
    triethyl orthoformate 448.3
    p-tert-butyltoluene 124.12
    methyl 4-tert-butylbenzoate 520.98
    morpholine 5987.17
    tert-butylamine 1225.0
    n-dodecanol 93.29
    dimethoxymethane 3133.74
    ethylene carbonate 1875.95
    cyrene 524.02
    2-ethoxyethyl acetate 1173.93
    2-ethylhexyl acetate 762.85
    1,2,4-trichlorobenzene 1561.91
    4-methylpyridine 3685.37
    dibutyl ether 419.49
    2,6-dimethyl-4-heptanol 170.08
    DEF 3484.19
    dimethyl isosorbide 871.46
    tetrachloroethylene 3608.28
    eugenol 489.12
    triacetin 689.26
    span 80 426.95
    1,4-butanediol 514.84
    1,1-dichloroethane 6131.86
    2-methyl-1-pentanol 887.46
    methyl formate 2188.47
    2-methyl-1-butanol 1834.68
    n-decane 17.87
    butyronitrile 3128.19
    3,7-dimethyl-1-octanol 235.49
    1-chlorooctane 176.22
    1-chlorotetradecane 51.37
    n-nonane 15.31
    undecane 12.35
    tert-butylcyclohexane 40.44
    cyclooctane 32.33
    cyclopentanol 2841.54
    tetrahydropyran 5832.34
    tert-amyl methyl ether 1030.44
    2,5,8-trioxanonane 899.74
    1-hexene 389.43
    2-isopropoxyethanol 954.81
    2,2,2-trifluoroethanol 769.94
    methyl butyrate 2282.02

    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