2,3-Dihydroxypropyl 4-aminobenzoate

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  • Identifiers

    CAS number
    136-44-7

    Molecular formula
    C10H13NO4

    SMILES
    C1=CC(=CC=C1C(=O)OCC(CO)O)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 44.6%
    Grape 41.53%
    Fruity 36.28%
    Sweet 35.64%
    Fatty 24.19%
    Citrus 24.11%
    Floral 23.34%
    Milky 23.09%
    Bitter 23.02%
    Savory 20.24%

     

    Flavor
    Fruity 49.36%
    Sweet 47.43%
    Odorless 45.74%
    Mild 33.79%
    Bitter 31.37%
    Grape 31.32%
    Very mild 26.09%
    Powdery 24.65%
    Creamy 23.77%
    Sweet-like 22.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    4.81 (weak acid)

    Molecular weight
    211.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    558°C

    Flash point

    • 220.77 ˚C est.

  • Synonyms

    • 2,3-dihydroxypropyl 4-aminobenzoate
    • glycerol p-aminobenzoate
    • RefChem:410748
    • Lisadimate
    • 136-44-7
    • Glyceryl p-aminobenzoate
    • Glyceryl paba
    • Lisadimato
    • Glycerol 1-(p-aminobenzoate)
    • p-Aminobenzoic acid monoglyceryl ester
    • Lisadimate (>85%)
    • (+/-)-Glycerol 1-(p-aminobenzoate)
    • A886B5N5IM
    • DTXSID8042002
    • Escalol 106
    • Lisadimatum
    • Lisadimate [USAN:INN]
    • Lisadimatum [INN-Latin]
    • Glyceryl para-aminobenzoate
    • Lisadimato [INN-Spanish]
    • 1,2,3-Propanetriol, 1-(4-aminobenzoate)
    • Monoglycerol p-aminobenzoate
    • Glycerol 1-(4-aminobenzoate)
    • 1,2,3-Propanetriol 1-(4-aminobenzoate)
    • Glyceryl paraaminobenzoate
    • EINECS 205-244-3
    • (+-)-Glycerol 1-(p-aminobenzoate)
    • BRN 2727968
    • UNII-A886B5N5IM
    • AI3-25249
    • 1,2,3-Propanetriol, p-aminobenzoate
    • starbld0002197
    • 1-(4-Aminobenzoate)-1,2,3-propanetriol
    • LISADIMATE [INN]
    • Lisadimate (USAN/INN)
    • LISADIMATE [USAN]
    • LISADIMATE [MART.]
    • Oprea1_234344
    • SCHEMBL62520
    • 4-14-00-01136 (Beilstein Handbook Reference)
    • 1,2,3-Propanetriol, 1-(4-aminobenzoate), (+-)-
    • orb1696437
    • CHEMBL2106668
    • DTXCID6022002
    • Tox21_113940
    • GLYCERYL P-AMINOBENZOATE [MI]
    • AKOS015913811
    • MSK170504-100A
    • NCGC00262947-01
    • CAS-136-44-7
    • NS00024425
    • D04746
    • SR-01000944885
    • SR-01000944885-1
    • BRD-A76533773-001-01-9
    • Q27273763
    • Glycerol p-aminobenzoate Solution in Acetonitrile, 100ug/mL
    • 1,2,3-PROPANETRIOL, 1-(4-AMINOBENZOATE), (+/-)-
    • 136-44-7

  • Applications

    2,3-Dihydroxypropyl 4-aminobenzoate (CAS 136-44-7) is an aryl ester of 4-aminobenzoic acid bearing a 2,3-dihydroxypropyl moiety, typically used as an intermediate in the synthesis of fragrance-related compounds and potential UV-absorbing derivatives, while also serving as a building block for cosmetic ingredients. The dihydroxypropyl portion provides hydrophilicity, enabling use as a humectant or compatibilizing additive in personal care formulations, and it can function as a precursor in fragrance chemistry and UV-filter development. In industrial coatings and inks, it may act as a reactive or compatibilizing additive to improve formulation compatibility. It may also be pursued as an intermediate in the synthesis of polymers or plastics, and as a starting material for pharmaceutical or agrochemical syntheses, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.1
    methanol 69.56
    isopropanol 4.18
    water 29.18
    ethyl acetate 2.05
    n-propanol 5.26
    acetone 4.85
    n-butanol 3.92
    acetonitrile 2.29
    DMF 246.4
    toluene 0.52
    isobutanol 2.51
    1,4-dioxane 8.25
    methyl acetate 1.88
    THF 15.63
    2-butanone 2.2
    n-pentanol 1.95
    sec-butanol 3.19
    n-hexane 0.06
    ethylene glycol 96.25
    NMP 133.62
    cyclohexane 0.26
    DMSO 380.21
    n-butyl acetate 1.27
    n-octanol 1.05
    chloroform 0.25
    n-propyl acetate 1.55
    acetic acid 122.22
    dichloromethane 0.3
    cyclohexanone 8.75
    propylene glycol 75.32
    isopropyl acetate 1.57
    DMAc 211.52
    2-ethoxyethanol 57.02
    isopentanol 3.73
    n-heptane 0.2
    ethyl formate 4.41
    1,2-dichloroethane 0.48
    n-hexanol 2.26
    2-methoxyethanol 168.75
    isobutyl acetate 0.81
    tetrachloromethane 0.12
    n-pentyl acetate 1.03
    transcutol 95.77
    n-heptanol 1.93
    ethylbenzene 0.36
    MIBK 2.46
    2-propoxyethanol 22.86
    tert-butanol 9.74
    MTBE 1.47
    2-butoxyethanol 13.42
    propionic acid 15.9
    o-xylene 0.94
    formic acid 459.91
    diethyl ether 0.86
    m-xylene 0.72
    p-xylene 0.49
    chlorobenzene 0.32
    dimethyl carbonate 8.56
    n-octane 0.09
    formamide 492.2
    cyclopentanone 15.87
    2-pentanone 2.37
    anisole 2.23
    cyclopentyl methyl ether 3.9
    gamma-butyrolactone 27.89
    1-methoxy-2-propanol 72.37
    pyridine 4.71
    3-pentanone 1.8
    furfural 40.32
    n-dodecane 0.06
    diethylene glycol 74.8
    diisopropyl ether 0.43
    tert-amyl alcohol 6.84
    acetylacetone 10.81
    n-hexadecane 0.07
    acetophenone 4.97
    methyl propionate 4.45
    isopentyl acetate 1.6
    trichloroethylene 1.09
    n-nonanol 1.22
    cyclohexanol 4.8
    benzyl alcohol 5.61
    2-ethylhexanol 1.28
    isooctanol 1.68
    dipropyl ether 1.32
    1,2-dichlorobenzene 0.53
    ethyl lactate 10.06
    propylene carbonate 11.17
    n-methylformamide 92.81
    2-pentanol 1.89
    n-pentane 0.09
    1-propoxy-2-propanol 11.61
    1-methoxy-2-propyl acetate 6.62
    2-(2-methoxypropoxy) propanol 21.56
    mesitylene 0.67
    ε-caprolactone 9.88
    p-cymene 0.61
    epichlorohydrin 8.99
    1,1,1-trichloroethane 0.2
    2-aminoethanol 92.63
    morpholine-4-carbaldehyde 100.07
    sulfolane 85.88
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 4.49
    n-hexyl acetate 1.69
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 28.48
    sec-butyl acetate 0.97
    tert-butyl acetate 3.27
    decalin 0.1
    glycerin 225.6
    diglyme 49.22
    acrylic acid 33.46
    isopropyl myristate 0.89
    n-butyric acid 13.44
    acetyl acetate 3.4
    di(2-ethylhexyl) phthalate 3.03
    ethyl propionate 1.68
    nitromethane 105.67
    1,2-diethoxyethane 3.51
    benzonitrile 1.89
    trioctyl phosphate 1.9
    1-bromopropane 0.14
    gamma-valerolactone 50.77
    n-decanol 1.01
    triethyl phosphate 2.74
    4-methyl-2-pentanol 1.63
    propionitrile 1.29
    vinylene carbonate 9.35
    1,1,2-trichlorotrifluoroethane 48.31
    DMS 3.46
    cumene 0.38
    2-octanol 0.81
    2-hexanone 1.45
    octyl acetate 1.36
    limonene 0.9
    1,2-dimethoxyethane 32.18
    ethyl orthosilicate 2.36
    tributyl phosphate 2.03
    diacetone alcohol 20.69
    N,N-dimethylaniline 3.14
    acrylonitrile 3.95
    aniline 3.03
    1,3-propanediol 78.12
    bromobenzene 0.2
    dibromomethane 0.15
    1,1,2,2-tetrachloroethane 1.28
    2-methyl-cyclohexyl acetate 2.61
    tetrabutyl urea 4.23
    diisobutyl methanol 1.23
    2-phenylethanol 4.19
    styrene 0.4
    dioctyl adipate 2.82
    dimethyl sulfate 28.34
    ethyl butyrate 1.85
    methyl lactate 33.66
    butyl lactate 5.1
    diethyl carbonate 1.74
    propanediol butyl ether 21.64
    triethyl orthoformate 2.64
    p-tert-butyltoluene 0.66
    methyl 4-tert-butylbenzoate 9.1
    morpholine 20.13
    tert-butylamine 2.23
    n-dodecanol 0.83
    dimethoxymethane 36.83
    ethylene carbonate 6.02
    cyrene 35.29
    2-ethoxyethyl acetate 3.18
    2-ethylhexyl acetate 1.03
    1,2,4-trichlorobenzene 1.01
    4-methylpyridine 2.81
    dibutyl ether 0.73
    2,6-dimethyl-4-heptanol 1.23
    DEF 16.61
    dimethyl isosorbide 26.54
    tetrachloroethylene 1.2
    eugenol 12.25
    triacetin 7.53
    span 80 15.42
    1,4-butanediol 23.9
    1,1-dichloroethane 0.12
    2-methyl-1-pentanol 2.17
    methyl formate 43.1
    2-methyl-1-butanol 3.36
    n-decane 0.1
    butyronitrile 1.13
    3,7-dimethyl-1-octanol 1.36
    1-chlorooctane 0.21
    1-chlorotetradecane 0.14
    n-nonane 0.08
    undecane 0.08
    tert-butylcyclohexane 0.07
    cyclooctane 0.14
    cyclopentanol 6.3
    tetrahydropyran 2.57
    tert-amyl methyl ether 1.78
    2,5,8-trioxanonane 40.19
    1-hexene 0.16
    2-isopropoxyethanol 17.94
    2,2,2-trifluoroethanol 42.73
    methyl butyrate 2.97

    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