Octyl 2-aminobenzoate

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  • Identifiers

    CAS number
    55198-39-5

    Molecular formula
    C15H23NO2

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

  • Odor profile

    Floral 75.18%
    Sweet 65.33%
    Grape 56.26%
    Fruity 52.68%
    Fresh 47.29%
    Orange 46.81%
    Citrus 46.36%
    Neroli 41.45%
    Rose 36.33%
    Herbal 34.0%

    Scent© AI

  • Properties

    XLogP3-AA
    5.6

    Molecular weight
    249.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    345°C

    Flash point est.
    171.17 ˚C

  • Synonyms

    • octyl 2-aminobenzoate
    • 55198-39-5
    • DTXSID90503611
    • n-Octyl anthranilate
    • SCHEMBL7540254
    • DTXCID80454421
    • AKOS012754309

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5832.08
    methanol 7103.58
    isopropanol 3750.37
    water 0.22
    ethyl acetate 4094.75
    n-propanol 4690.21
    acetone 10205.4
    n-butanol 3237.53
    acetonitrile 5485.43
    DMF 7778.11
    toluene 950.56
    isobutanol 2677.31
    1,4-dioxane 3531.41
    methyl acetate 2921.61
    THF 5265.92
    2-butanone 4376.84
    n-pentanol 1377.46
    sec-butanol 2304.41
    n-hexane 34.54
    ethylene glycol 344.38
    NMP 4058.65
    cyclohexane 131.81
    DMSO 10511.44
    n-butyl acetate 1425.9
    n-octanol 201.39
    chloroform 5609.69
    n-propyl acetate 1623.09
    acetic acid 3089.7
    dichloromethane 6818.67
    cyclohexanone 5580.84
    propylene glycol 756.5
    isopropyl acetate 1793.96
    DMAc 3224.52
    2-ethoxyethanol 1733.52
    isopentanol 1865.46
    n-heptane 13.0
    ethyl formate 2150.21
    1,2-dichloroethane 6540.78
    n-hexanol 833.62
    2-methoxyethanol 4418.2
    isobutyl acetate 697.55
    tetrachloromethane 463.17
    n-pentyl acetate 666.36
    transcutol 3782.23
    n-heptanol 272.88
    ethylbenzene 254.75
    MIBK 1281.86
    2-propoxyethanol 1554.77
    tert-butanol 2540.58
    MTBE 1935.95
    2-butoxyethanol 702.4
    propionic acid 2138.83
    o-xylene 374.05
    formic acid 751.23
    diethyl ether 2396.36
    m-xylene 414.78
    p-xylene 356.63
    chlorobenzene 1845.83
    dimethyl carbonate 872.35
    n-octane 7.11
    formamide 1978.03
    cyclopentanone 6164.68
    2-pentanone 3887.24
    anisole 747.1
    cyclopentyl methyl ether 2106.88
    gamma-butyrolactone 5720.68
    1-methoxy-2-propanol 2755.89
    pyridine 4173.2
    3-pentanone 1882.56
    furfural 3141.59
    n-dodecane 7.48
    diethylene glycol 932.67
    diisopropyl ether 317.84
    tert-amyl alcohol 1537.69
    acetylacetone 3208.12
    n-hexadecane 9.15
    acetophenone 808.69
    methyl propionate 2604.65
    isopentyl acetate 1035.81
    trichloroethylene 8893.22
    n-nonanol 174.91
    cyclohexanol 2070.95
    benzyl alcohol 773.29
    2-ethylhexanol 330.76
    isooctanol 219.28
    dipropyl ether 423.42
    1,2-dichlorobenzene 1270.1
    ethyl lactate 475.57
    propylene carbonate 2261.99
    n-methylformamide 4453.8
    2-pentanol 1390.59
    n-pentane 35.91
    1-propoxy-2-propanol 912.83
    1-methoxy-2-propyl acetate 1044.02
    2-(2-methoxypropoxy) propanol 420.89
    mesitylene 204.83
    ε-caprolactone 3400.17
    p-cymene 114.99
    epichlorohydrin 7193.38
    1,1,1-trichloroethane 3475.06
    2-aminoethanol 1397.34
    morpholine-4-carbaldehyde 2776.93
    sulfolane 6166.03
    2,2,4-trimethylpentane 26.75
    2-methyltetrahydrofuran 3962.17
    n-hexyl acetate 705.33
    isooctane 19.4
    2-(2-butoxyethoxy)ethanol 803.36
    sec-butyl acetate 768.11
    tert-butyl acetate 1303.97
    decalin 42.39
    glycerin 728.62
    diglyme 1810.63
    acrylic acid 1487.86
    isopropyl myristate 186.62
    n-butyric acid 4114.93
    acetyl acetate 1618.87
    di(2-ethylhexyl) phthalate 186.81
    ethyl propionate 1158.62
    nitromethane 7287.71
    1,2-diethoxyethane 1187.3
    benzonitrile 1263.79
    trioctyl phosphate 145.53
    1-bromopropane 2271.6
    gamma-valerolactone 6168.72
    n-decanol 119.19
    triethyl phosphate 226.34
    4-methyl-2-pentanol 437.29
    propionitrile 3134.3
    vinylene carbonate 1789.39
    1,1,2-trichlorotrifluoroethane 2899.33
    DMS 629.27
    cumene 138.37
    2-octanol 166.43
    2-hexanone 1503.18
    octyl acetate 267.17
    limonene 213.67
    1,2-dimethoxyethane 2769.53
    ethyl orthosilicate 205.09
    tributyl phosphate 199.35
    diacetone alcohol 1374.47
    N,N-dimethylaniline 344.46
    acrylonitrile 3457.31
    aniline 1605.27
    1,3-propanediol 2180.39
    bromobenzene 1791.37
    dibromomethane 3850.11
    1,1,2,2-tetrachloroethane 6501.69
    2-methyl-cyclohexyl acetate 417.47
    tetrabutyl urea 268.54
    diisobutyl methanol 153.18
    2-phenylethanol 548.26
    styrene 454.95
    dioctyl adipate 299.43
    dimethyl sulfate 1292.95
    ethyl butyrate 718.9
    methyl lactate 906.83
    butyl lactate 510.06
    diethyl carbonate 426.82
    propanediol butyl ether 610.32
    triethyl orthoformate 368.43
    p-tert-butyltoluene 107.69
    methyl 4-tert-butylbenzoate 440.74
    morpholine 5777.87
    tert-butylamine 1116.42
    n-dodecanol 85.21
    dimethoxymethane 3210.08
    ethylene carbonate 1702.02
    cyrene 491.17
    2-ethoxyethyl acetate 962.06
    2-ethylhexyl acetate 665.36
    1,2,4-trichlorobenzene 1426.81
    4-methylpyridine 3752.33
    dibutyl ether 341.49
    2,6-dimethyl-4-heptanol 153.18
    DEF 3397.19
    dimethyl isosorbide 810.98
    tetrachloroethylene 3254.01
    eugenol 452.3
    triacetin 559.62
    span 80 403.63
    1,4-butanediol 573.54
    1,1-dichloroethane 5566.93
    2-methyl-1-pentanol 881.65
    methyl formate 2452.86
    2-methyl-1-butanol 1796.66
    n-decane 12.81
    butyronitrile 3255.35
    3,7-dimethyl-1-octanol 215.49
    1-chlorooctane 134.8
    1-chlorotetradecane 41.66
    n-nonane 10.8
    undecane 9.24
    tert-butylcyclohexane 31.4
    cyclooctane 21.05
    cyclopentanol 2575.13
    tetrahydropyran 4884.74
    tert-amyl methyl ether 892.72
    2,5,8-trioxanonane 873.82
    1-hexene 324.62
    2-isopropoxyethanol 907.19
    2,2,2-trifluoroethanol 757.94
    methyl butyrate 1946.26

    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