Arabenoic acid

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  • Identifiers

    CAS number
    136468-08-1

    Molecular formula
    C6H10O4

    SMILES
    CO/C(=C/C(=O)O)/CCO

    Safety labels

  • Odor profile

    Fragrance
    Fruity 58.09%
    Sweet 34.74%
    Sour 33.41%
    Caramellic 33.27%
    Ethereal 31.54%
    Winey 30.32%
    Odorless 29.16%
    Sharp 27.04%
    Pungent 26.9%
    Buttery 22.77%

     

    Flavor
    Odorless 42.54%
    Sour 37.5%
    Acidic 31.44%
    Fruity 30.3%
    Pungent 26.43%
    Cheese 26.24%
    Sharp 25.88%
    Soy 22.57%
    Yeast 22.52%
    Acetoin 22.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    7.06 (neutral)

    Molecular weight
    146.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    318°C

    Flash point

    • 143.29 ˚C est.

  • Synonyms

    • Arabenoic acid
    • 5-Hydroxy-3-methoxy-2-pentenoic acid
    • 136468-08-1
    • (E)-5-hydroxy-3-methoxypent-2-enoic acid
    • 2-Pentenoic acid, 5-hydroxy-3-methoxy-, (E)-
    • RefChem:113650
    • orb2942897
    • CHEBI:221431
    • 136468-08-1

  • Applications

    Arabenoic acid (CAS 136468-08-1) is primarily used as an organic synthesis intermediate and building block, enabling the preparation of various derivatives; it may serve as a monomer precursor or functional additive in polymers and plastics; it can be employed as a component or processing aid in coatings and inks formulations; it is sometimes evaluated for fragrance precursor applications in perfumery; it may be considered for cosmetic/personal care formulations as a starting material for ester derivatives; and it can act as a chelating/acidic component in cleaning formulations. Use and limits depend on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 82.98
    methanol 219.29
    isopropanol 44.1
    water 104.13
    ethyl acetate 23.97
    n-propanol 51.27
    acetone 57.58
    n-butanol 38.11
    acetonitrile 39.75
    DMF 694.02
    toluene 3.51
    isobutanol 31.87
    1,4-dioxane 70.89
    methyl acetate 34.98
    THF 128.43
    2-butanone 27.15
    n-pentanol 22.85
    sec-butanol 25.48
    n-hexane 0.78
    ethylene glycol 244.8
    NMP 362.74
    cyclohexane 0.9
    DMSO 530.95
    n-butyl acetate 9.96
    n-octanol 13.82
    chloroform 10.34
    n-propyl acetate 11.96
    acetic acid 88.56
    dichloromethane 18.93
    cyclohexanone 44.76
    propylene glycol 147.36
    isopropyl acetate 13.37
    DMAc 401.62
    2-ethoxyethanol 98.1
    isopentanol 26.18
    n-heptane 1.17
    ethyl formate 47.27
    1,2-dichloroethane 16.04
    n-hexanol 20.52
    2-methoxyethanol 266.7
    isobutyl acetate 8.08
    tetrachloromethane 3.12
    n-pentyl acetate 8.18
    transcutol 77.79
    n-heptanol 12.48
    ethylbenzene 3.42
    MIBK 19.41
    2-propoxyethanol 82.53
    tert-butanol 53.12
    MTBE 13.65
    2-butoxyethanol 36.54
    propionic acid 69.88
    o-xylene 7.06
    formic acid 198.76
    diethyl ether 10.79
    m-xylene 6.72
    p-xylene 4.25
    chlorobenzene 5.81
    dimethyl carbonate 46.43
    n-octane 0.56
    formamide 200.82
    cyclopentanone 84.35
    2-pentanone 24.63
    anisole 17.7
    cyclopentyl methyl ether 28.93
    gamma-butyrolactone 135.8
    1-methoxy-2-propanol 149.6
    pyridine 19.87
    3-pentanone 17.99
    furfural 126.17
    n-dodecane 0.73
    diethylene glycol 161.97
    diisopropyl ether 3.56
    tert-amyl alcohol 30.44
    acetylacetone 42.94
    n-hexadecane 0.8
    acetophenone 23.93
    methyl propionate 45.08
    isopentyl acetate 9.67
    trichloroethylene 23.34
    n-nonanol 12.31
    cyclohexanol 26.73
    benzyl alcohol 28.85
    2-ethylhexanol 11.35
    isooctanol 10.49
    dipropyl ether 9.3
    1,2-dichlorobenzene 9.92
    ethyl lactate 33.04
    propylene carbonate 59.32
    n-methylformamide 245.14
    2-pentanol 16.23
    n-pentane 0.9
    1-propoxy-2-propanol 40.51
    1-methoxy-2-propyl acetate 27.04
    2-(2-methoxypropoxy) propanol 43.82
    mesitylene 5.67
    ε-caprolactone 45.83
    p-cymene 5.07
    epichlorohydrin 86.01
    1,1,1-trichloroethane 9.38
    2-aminoethanol 187.55
    morpholine-4-carbaldehyde 262.33
    sulfolane 220.99
    2,2,4-trimethylpentane 0.9
    2-methyltetrahydrofuran 38.59
    n-hexyl acetate 14.53
    isooctane 0.84
    2-(2-butoxyethoxy)ethanol 49.42
    sec-butyl acetate 7.65
    tert-butyl acetate 16.6
    decalin 1.19
    glycerin 303.5
    diglyme 82.6
    acrylic acid 92.33
    isopropyl myristate 7.31
    n-butyric acid 49.84
    acetyl acetate 18.19
    di(2-ethylhexyl) phthalate 14.88
    ethyl propionate 16.9
    nitromethane 153.51
    1,2-diethoxyethane 12.11
    benzonitrile 20.79
    trioctyl phosphate 11.77
    1-bromopropane 6.17
    gamma-valerolactone 144.57
    n-decanol 9.53
    triethyl phosphate 14.34
    4-methyl-2-pentanol 12.35
    propionitrile 29.22
    vinylene carbonate 56.91
    1,1,2-trichlorotrifluoroethane 122.13
    DMS 20.03
    cumene 4.39
    2-octanol 7.3
    2-hexanone 13.25
    octyl acetate 10.4
    limonene 7.06
    1,2-dimethoxyethane 109.1
    ethyl orthosilicate 11.99
    tributyl phosphate 11.86
    diacetone alcohol 49.62
    N,N-dimethylaniline 20.56
    acrylonitrile 56.3
    aniline 15.9
    1,3-propanediol 142.33
    bromobenzene 4.05
    dibromomethane 8.75
    1,1,2,2-tetrachloroethane 23.18
    2-methyl-cyclohexyl acetate 13.96
    tetrabutyl urea 21.24
    diisobutyl methanol 7.82
    2-phenylethanol 21.52
    styrene 3.56
    dioctyl adipate 14.94
    dimethyl sulfate 109.01
    ethyl butyrate 13.33
    methyl lactate 90.23
    butyl lactate 18.26
    diethyl carbonate 11.72
    propanediol butyl ether 43.36
    triethyl orthoformate 12.07
    p-tert-butyltoluene 5.01
    methyl 4-tert-butylbenzoate 33.16
    morpholine 91.91
    tert-butylamine 19.12
    n-dodecanol 7.37
    dimethoxymethane 159.07
    ethylene carbonate 42.88
    cyrene 78.49
    2-ethoxyethyl acetate 13.48
    2-ethylhexyl acetate 7.23
    1,2,4-trichlorobenzene 12.98
    4-methylpyridine 25.47
    dibutyl ether 6.17
    2,6-dimethyl-4-heptanol 7.82
    DEF 79.05
    dimethyl isosorbide 70.72
    tetrachloroethylene 14.94
    eugenol 39.62
    triacetin 22.43
    span 80 35.72
    1,4-butanediol 67.75
    1,1-dichloroethane 9.32
    2-methyl-1-pentanol 17.35
    methyl formate 176.89
    2-methyl-1-butanol 25.22
    n-decane 0.98
    butyronitrile 26.68
    3,7-dimethyl-1-octanol 11.91
    1-chlorooctane 4.26
    1-chlorotetradecane 2.29
    n-nonane 0.85
    undecane 0.82
    tert-butylcyclohexane 1.21
    cyclooctane 0.62
    cyclopentanol 47.02
    tetrahydropyran 22.12
    tert-amyl methyl ether 14.23
    2,5,8-trioxanonane 73.16
    1-hexene 2.55
    2-isopropoxyethanol 45.97
    2,2,2-trifluoroethanol 67.76
    methyl butyrate 24.82

    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