Isobutyl anthranilate

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  • Identifiers

    CAS number
    7779-77-3

    Molecular formula
    C11H15NO2

    SMILES
    CC(C)COC(=O)C1=CC=CC=C1N

  • Odor profile

    Fragrance
    Floral 85.2%
    Sweet 79.82%
    Fruity 79.24%
    Grape 75.27%
    Orange 50.66%
    Neroli 50.15%
    Berry 39.22%
    Powdery 38.27%
    Citrus 37.4%
    Winey 36.16%

     

    Flavor
    Fruity 73.52%
    Sweet 63.17%
    Grape 44.92%
    Floral 44.92%
    Powdery 38.41%
    Berry 33.6%
    Bitter 31.42%
    Herbal 29.39%
    Musty 27.47%
    Strawberry 26.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    5.41 (weak acid)

    Molecular weight
    193.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 313 to 315 °F at 13.5 mmHg (NTP, 1992)
    • 118.00 to 122.00 °C. @ 3.00 mm Hg

    Flash point

    • 137.78 ˚C est.

    Solubility expt.

    • Insoluble (NTP, 1992)
    • Insoluble in water; Soluble in oils
    • Soluble (in ethanol)

  • Synonyms

    • ISOBUTYL ANTHRANILATE
    • 7779-77-3
    • Isobutyl 2-aminobenzoate
    • 2-Methylpropyl 2-aminobenzoate
    • Isobutyl O-aminobenzoate
    • Anthranilic acid, isobutyl ester
    • FEMA No. 2182
    • Isobutylanthranilate
    • Benzoic acid, 2-amino-, 2-methylpropyl ester
    • CCRIS 6251
    • EINECS 231-938-0
    • UNII-42VU4JGT90
    • 42VU4JGT90
    • iso-butyl anthranilate
    • AI3-03443
    • DTXSID8025460
    • ISOBUTYL ANTHRANILATE [FHFI]
    • Isobutylanthranilat
    • MFCD00053630
    • Isobutyl 2-aminobenzoate #
    • anthranilic acid isobutyl ester
    • DTXCID105460
    • SCHEMBL1532440
    • CHEMBL2263136
    • FEMA 2182
    • CHEBI:179249
    • HAA77977
    • AKOS009166070
    • FS-3879
    • DB-254956
    • NS00022792
    • G86029
    • 2-AMINOBENZOIC ACID, 2-METHYLPROPYL ESTER
    • Q27258578
    • 231-938-0

  • Applications

    Isobutyl anthranilate (CAS number: 7779-77-3) is primarily used as a fragrance ingredient in perfumery, providing fruity, grape-like notes and can act as a fixative to extend scent longevity. It is widely employed in cosmetics and personal care formulations as a scent component, and in household products such as air fresheners and cleaners to impart a fruity aroma. The ester is evaluated for flavor applications, contributing characteristic fruity notes in certain flavor formulations. In addition, it is encountered in some industrial and packaging contexts as a fragrance additive within coatings, inks, and related products, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 699.01
    methanol 812.72
    isopropanol 538.67
    water 0.89
    ethyl acetate 343.49
    n-propanol 522.41
    acetone 846.58
    n-butanol 523.39
    acetonitrile 504.31
    DMF 1700.89
    toluene 135.84
    isobutanol 411.37
    1,4-dioxane 593.76
    methyl acetate 346.53
    THF 914.92
    2-butanone 516.02
    n-pentanol 309.41
    sec-butanol 414.89
    n-hexane 12.92
    ethylene glycol 150.03
    NMP 847.56
    cyclohexane 24.95
    DMSO 1001.97
    n-butyl acetate 270.73
    n-octanol 94.49
    chloroform 1024.39
    n-propyl acetate 194.92
    acetic acid 759.01
    dichloromethane 754.29
    cyclohexanone 683.73
    propylene glycol 273.52
    isopropyl acetate 206.84
    DMAc 881.47
    2-ethoxyethanol 369.05
    isopentanol 379.06
    n-heptane 5.81
    ethyl formate 341.57
    1,2-dichloroethane 678.09
    n-hexanol 311.75
    2-methoxyethanol 797.34
    isobutyl acetate 124.34
    tetrachloromethane 60.51
    n-pentyl acetate 112.05
    transcutol 743.82
    n-heptanol 115.3
    ethylbenzene 71.89
    MIBK 213.86
    2-propoxyethanol 446.72
    tert-butanol 506.45
    MTBE 270.61
    2-butoxyethanol 221.12
    propionic acid 352.8
    o-xylene 87.51
    formic acid 296.6
    diethyl ether 245.38
    m-xylene 93.93
    p-xylene 103.25
    chlorobenzene 301.03
    dimethyl carbonate 171.5
    n-octane 3.05
    formamide 416.99
    cyclopentanone 824.39
    2-pentanone 412.08
    anisole 209.72
    cyclopentyl methyl ether 307.25
    gamma-butyrolactone 756.18
    1-methoxy-2-propanol 546.45
    pyridine 557.28
    3-pentanone 250.12
    furfural 737.67
    n-dodecane 3.11
    diethylene glycol 364.14
    diisopropyl ether 52.04
    tert-amyl alcohol 375.4
    acetylacetone 406.94
    n-hexadecane 3.6
    acetophenone 214.61
    methyl propionate 297.57
    isopentyl acetate 234.27
    trichloroethylene 1376.5
    n-nonanol 77.37
    cyclohexanol 343.91
    benzyl alcohol 219.13
    2-ethylhexanol 125.87
    isooctanol 86.4
    dipropyl ether 84.41
    1,2-dichlorobenzene 243.78
    ethyl lactate 137.5
    propylene carbonate 438.0
    n-methylformamide 641.95
    2-pentanol 279.06
    n-pentane 12.57
    1-propoxy-2-propanol 273.98
    1-methoxy-2-propyl acetate 238.36
    2-(2-methoxypropoxy) propanol 168.08
    mesitylene 51.56
    ε-caprolactone 480.24
    p-cymene 40.07
    epichlorohydrin 997.05
    1,1,1-trichloroethane 406.1
    2-aminoethanol 336.1
    morpholine-4-carbaldehyde 689.59
    sulfolane 855.01
    2,2,4-trimethylpentane 10.11
    2-methyltetrahydrofuran 517.0
    n-hexyl acetate 164.17
    isooctane 7.84
    2-(2-butoxyethoxy)ethanol 271.67
    sec-butyl acetate 121.6
    tert-butyl acetate 201.97
    decalin 13.13
    glycerin 327.27
    diglyme 473.66
    acrylic acid 362.19
    isopropyl myristate 51.16
    n-butyric acid 604.03
    acetyl acetate 232.71
    di(2-ethylhexyl) phthalate 75.81
    ethyl propionate 161.04
    nitromethane 1031.44
    1,2-diethoxyethane 181.58
    benzonitrile 283.44
    trioctyl phosphate 54.14
    1-bromopropane 263.32
    gamma-valerolactone 971.36
    n-decanol 54.29
    triethyl phosphate 72.64
    4-methyl-2-pentanol 137.21
    propionitrile 348.62
    vinylene carbonate 398.73
    1,1,2-trichlorotrifluoroethane 661.73
    DMS 140.32
    cumene 50.2
    2-octanol 68.27
    2-hexanone 244.12
    octyl acetate 77.1
    limonene 61.94
    1,2-dimethoxyethane 574.03
    ethyl orthosilicate 68.57
    tributyl phosphate 66.0
    diacetone alcohol 314.62
    N,N-dimethylaniline 126.46
    acrylonitrile 459.42
    aniline 273.47
    1,3-propanediol 508.4
    bromobenzene 257.06
    dibromomethane 485.54
    1,1,2,2-tetrachloroethane 1131.68
    2-methyl-cyclohexyl acetate 124.76
    tetrabutyl urea 86.77
    diisobutyl methanol 60.91
    2-phenylethanol 206.88
    styrene 105.9
    dioctyl adipate 88.75
    dimethyl sulfate 251.04
    ethyl butyrate 144.62
    methyl lactate 230.69
    butyl lactate 131.48
    diethyl carbonate 108.31
    propanediol butyl ether 239.77
    triethyl orthoformate 98.75
    p-tert-butyltoluene 40.31
    methyl 4-tert-butylbenzoate 141.99
    morpholine 832.22
    tert-butylamine 238.59
    n-dodecanol 39.38
    dimethoxymethane 506.55
    ethylene carbonate 322.53
    cyrene 194.81
    2-ethoxyethyl acetate 166.3
    2-ethylhexyl acetate 161.44
    1,2,4-trichlorobenzene 291.43
    4-methylpyridine 567.7
    dibutyl ether 68.79
    2,6-dimethyl-4-heptanol 60.91
    DEF 462.36
    dimethyl isosorbide 258.23
    tetrachloroethylene 536.5
    eugenol 163.65
    triacetin 140.25
    span 80 154.79
    1,4-butanediol 183.73
    1,1-dichloroethane 618.82
    2-methyl-1-pentanol 274.63
    methyl formate 449.14
    2-methyl-1-butanol 361.05
    n-decane 4.81
    butyronitrile 414.55
    3,7-dimethyl-1-octanol 93.07
    1-chlorooctane 41.55
    1-chlorotetradecane 14.18
    n-nonane 4.22
    undecane 3.72
    tert-butylcyclohexane 12.22
    cyclooctane 6.11
    cyclopentanol 371.7
    tetrahydropyran 540.53
    tert-amyl methyl ether 177.03
    2,5,8-trioxanonane 283.53
    1-hexene 78.87
    2-isopropoxyethanol 229.94
    2,2,2-trifluoroethanol 224.62
    methyl butyrate 272.72

    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