Heptyl 2-aminobenzoate

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  • Identifiers

    CAS number
    18189-06-5

    Molecular formula
    C14H21NO2

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

  • Odor profile

    Fragrance
    Floral 77.0%
    Sweet 67.72%
    Fruity 64.2%
    Grape 60.83%
    Orange 44.9%
    Fresh 43.47%
    Citrus 42.25%
    Neroli 39.93%
    Herbal 38.11%
    Green 34.05%

     

    Flavor
    Floral 46.69%
    Herbal 46.04%
    Fruity 43.24%
    Woody 38.86%
    Balsam 37.09%
    Green 33.14%
    Sweet 32.48%
    Waxy 31.51%
    Spicy 31.41%
    Oily 30.49%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    5.53 (weak acid)

    Molecular weight
    235.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    333°C

    Flash point

    • 165.43 ˚C est.

  • Synonyms

    • Heptyl 2-aminobenzoate
    • SCHEMBL7262823
    • CHEMBL2263137
    • 2-amino-benzoic acid heptyl ester
    • ZQISIIMREGXNOS-UHFFFAOYSA-N
    • DTXSID701289387
    • AKOS006207118
    • Benzoic acid, 2-amino-, heptyl ester
    • 18189-06-5

  • Applications

    Chemical name: Heptyl 2-aminobenzoate; CAS number: 18189-06-5 is primarily viewed as an organic synthesis intermediate with potential fragrance-related applications. In the perfumery and personal care sectors, it may serve as a fragrance ingredient or a fixative within fragrance formulations. In household products and cleaning formulations, it may be used as a scent component to enhance odor profiles and stability. In coatings and inks, it may act as a precursor or component related to anthranilate-derived odorants. It may also function as an industrial manufacturing precursor for related anthranilate derivatives. Use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4847.52
    methanol 6251.27
    isopropanol 2949.47
    water 0.19
    ethyl acetate 3569.18
    n-propanol 3911.88
    acetone 8395.52
    n-butanol 2730.15
    acetonitrile 4874.14
    DMF 7602.54
    toluene 899.49
    isobutanol 2255.52
    1,4-dioxane 2891.65
    methyl acetate 2601.43
    THF 4522.18
    2-butanone 3877.49
    n-pentanol 1187.81
    sec-butanol 1946.31
    n-hexane 29.01
    ethylene glycol 348.59
    NMP 3984.1
    cyclohexane 95.66
    DMSO 10167.28
    n-butyl acetate 1260.19
    n-octanol 173.92
    chloroform 5085.85
    n-propyl acetate 1333.26
    acetic acid 2822.68
    dichloromethane 6249.33
    cyclohexanone 4742.82
    propylene glycol 742.06
    isopropyl acetate 1484.62
    DMAc 3076.13
    2-ethoxyethanol 1548.87
    isopentanol 1579.23
    n-heptane 10.74
    ethyl formate 1899.06
    1,2-dichloroethane 6055.88
    n-hexanol 755.4
    2-methoxyethanol 4095.95
    isobutyl acetate 580.45
    tetrachloromethane 363.01
    n-pentyl acetate 526.42
    transcutol 3589.1
    n-heptanol 237.25
    ethylbenzene 234.41
    MIBK 1098.99
    2-propoxyethanol 1392.75
    tert-butanol 2063.81
    MTBE 1559.7
    2-butoxyethanol 612.7
    propionic acid 1932.9
    o-xylene 346.09
    formic acid 740.83
    diethyl ether 1965.8
    m-xylene 393.09
    p-xylene 317.63
    chlorobenzene 1757.1
    dimethyl carbonate 851.41
    n-octane 5.69
    formamide 1938.0
    cyclopentanone 5518.62
    2-pentanone 3337.99
    anisole 713.38
    cyclopentyl methyl ether 1825.7
    gamma-butyrolactone 5225.08
    1-methoxy-2-propanol 2511.75
    pyridine 3742.99
    3-pentanone 1670.15
    furfural 3036.95
    n-dodecane 6.08
    diethylene glycol 917.92
    diisopropyl ether 262.86
    tert-amyl alcohol 1335.06
    acetylacetone 2869.7
    n-hexadecane 7.46
    acetophenone 763.34
    methyl propionate 2475.3
    isopentyl acetate 917.48
    trichloroethylene 8443.21
    n-nonanol 150.15
    cyclohexanol 1733.81
    benzyl alcohol 751.6
    2-ethylhexanol 297.01
    isooctanol 188.59
    dipropyl ether 352.22
    1,2-dichlorobenzene 1205.58
    ethyl lactate 427.7
    propylene carbonate 2076.65
    n-methylformamide 4195.98
    2-pentanol 1172.16
    n-pentane 29.51
    1-propoxy-2-propanol 835.84
    1-methoxy-2-propyl acetate 971.2
    2-(2-methoxypropoxy) propanol 400.51
    mesitylene 185.08
    ε-caprolactone 2902.59
    p-cymene 104.38
    epichlorohydrin 6624.24
    1,1,1-trichloroethane 3019.46
    2-aminoethanol 1328.41
    morpholine-4-carbaldehyde 2640.22
    sulfolane 5871.65
    2,2,4-trimethylpentane 22.49
    2-methyltetrahydrofuran 3262.92
    n-hexyl acetate 596.93
    isooctane 16.99
    2-(2-butoxyethoxy)ethanol 758.27
    sec-butyl acetate 648.12
    tert-butyl acetate 1114.6
    decalin 35.68
    glycerin 730.88
    diglyme 1684.57
    acrylic acid 1442.15
    isopropyl myristate 163.68
    n-butyric acid 3538.16
    acetyl acetate 1408.26
    di(2-ethylhexyl) phthalate 171.91
    ethyl propionate 1001.02
    nitromethane 6531.43
    1,2-diethoxyethane 1028.79
    benzonitrile 1178.05
    trioctyl phosphate 133.07
    1-bromopropane 2001.37
    gamma-valerolactone 5387.29
    n-decanol 104.59
    triethyl phosphate 201.69
    4-methyl-2-pentanol 373.58
    propionitrile 2724.89
    vinylene carbonate 1653.73
    1,1,2-trichlorotrifluoroethane 2750.76
    DMS 565.27
    cumene 126.11
    2-octanol 139.98
    2-hexanone 1257.56
    octyl acetate 233.77
    limonene 190.42
    1,2-dimethoxyethane 2374.2
    ethyl orthosilicate 180.3
    tributyl phosphate 181.01
    diacetone alcohol 1237.68
    N,N-dimethylaniline 325.56
    acrylonitrile 3229.2
    aniline 1563.56
    1,3-propanediol 1979.39
    bromobenzene 1703.25
    dibromomethane 3499.08
    1,1,2,2-tetrachloroethane 6128.02
    2-methyl-cyclohexyl acetate 367.74
    tetrabutyl urea 243.24
    diisobutyl methanol 134.44
    2-phenylethanol 524.8
    styrene 426.41
    dioctyl adipate 267.32
    dimethyl sulfate 1266.98
    ethyl butyrate 628.03
    methyl lactate 876.69
    butyl lactate 437.46
    diethyl carbonate 380.29
    propanediol butyl ether 570.05
    triethyl orthoformate 321.64
    p-tert-butyltoluene 97.27
    methyl 4-tert-butylbenzoate 398.19
    morpholine 4979.1
    tert-butylamine 904.59
    n-dodecanol 75.14
    dimethoxymethane 3003.04
    ethylene carbonate 1510.82
    cyrene 472.38
    2-ethoxyethyl acetate 813.32
    2-ethylhexyl acetate 590.75
    1,2,4-trichlorobenzene 1367.53
    4-methylpyridine 3490.55
    dibutyl ether 283.83
    2,6-dimethyl-4-heptanol 134.44
    DEF 3161.49
    dimethyl isosorbide 780.15
    tetrachloroethylene 2894.54
    eugenol 418.41
    triacetin 489.82
    span 80 371.72
    1,4-butanediol 526.94
    1,1-dichloroethane 4958.71
    2-methyl-1-pentanol 781.61
    methyl formate 2314.88
    2-methyl-1-butanol 1588.17
    n-decane 10.04
    butyronitrile 2829.25
    3,7-dimethyl-1-octanol 193.28
    1-chlorooctane 114.05
    1-chlorotetradecane 35.77
    n-nonane 8.54
    undecane 7.39
    tert-butylcyclohexane 26.81
    cyclooctane 16.55
    cyclopentanol 2190.31
    tetrahydropyran 3882.38
    tert-amyl methyl ether 757.75
    2,5,8-trioxanonane 824.08
    1-hexene 277.96
    2-isopropoxyethanol 800.46
    2,2,2-trifluoroethanol 675.2
    methyl butyrate 1647.26

    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