Hydroxymethylreductic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    123529-38-4

    Molecular formula
    C6H8O4

    SMILES
    C1C(C(=C(C1=O)O)O)CO

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.64%
    Caramellic 48.03%
    Burnt 32.06%
    Sweet 29.34%
    Savory 22.24%
    Roasted 18.68%
    Sharp 18.49%
    Milky 17.98%
    Malty 17.49%
    Buttery 15.87%

     

    Flavor
    Odorless 38.48%
    Caramel 33.67%
    Very mild 29.45%
    Sweet 29.08%
    Maple 27.82%
    Sweet-like 22.78%
    Maple syrup 22.24%
    Fenugreek 22.14%
    Cotton candy 21.87%
    Bitter 21.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    6.45 (neutral)

    Molecular weight
    144.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    400°C

    Flash point

    • 174.97 ˚C est.

  • Synonyms

    • HMRA
    • Hydroxymethylreductic acid
    • 123529-38-4
    • RefChem:147223
    • 2,3-dihydroxy-4-(hydroxymethyl)cyclopent-2-en-1-one
    • SCHEMBL29372847
    • DTXSID80924533
    • 2-Cyclopenten-1-one, 2,3-dihydroxy-4-(hydroxymethyl)- (9CI)
    • 2-Cyclopenten-1-one, 2,3-dihydroxy-4-(hydroxymethyl)-
    • 123529-38-4

  • Applications

    Hydroxymethylreductic acid (CAS 123529-38-4) is typically evaluated as an intermediate in organic synthesis and as a reactive building block for specialty chemicals. In industrial manufacturing, it may serve as a precursor for downstream derivatives. It is sometimes discussed as a potential additive in coatings or inks, where it can participate in polymerizable functions or act as a chelating or processing aid. In cosmetics and personal care, it may be considered for use in formulations as a processing aid or fragrance-related component, subject to regulatory compliance. It may also be explored for use in cleaning or household products as a functional ingredient, depending on formulation constraints. These applications are contingent on specific purity, safety, and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.24
    methanol 85.97
    isopropanol 20.78
    water 452.86
    ethyl acetate 7.52
    n-propanol 17.43
    acetone 20.58
    n-butanol 13.94
    acetonitrile 4.36
    DMF 242.5
    toluene 0.98
    isobutanol 10.31
    1,4-dioxane 44.55
    methyl acetate 7.53
    THF 64.43
    2-butanone 8.51
    n-pentanol 10.69
    sec-butanol 13.22
    n-hexane 0.52
    ethylene glycol 217.04
    NMP 97.08
    cyclohexane 0.76
    DMSO 470.19
    n-butyl acetate 4.57
    n-octanol 11.73
    chloroform 3.8
    n-propyl acetate 4.88
    acetic acid 54.22
    dichloromethane 5.13
    cyclohexanone 14.22
    propylene glycol 60.96
    isopropyl acetate 7.76
    DMAc 139.57
    2-ethoxyethanol 107.09
    isopentanol 15.65
    n-heptane 1.3
    ethyl formate 11.7
    1,2-dichloroethane 6.06
    n-hexanol 15.14
    2-methoxyethanol 210.81
    isobutyl acetate 2.26
    tetrachloromethane 4.02
    n-pentyl acetate 6.0
    transcutol 74.48
    n-heptanol 14.85
    ethylbenzene 1.44
    MIBK 13.62
    2-propoxyethanol 67.01
    tert-butanol 40.68
    MTBE 9.61
    2-butoxyethanol 45.09
    propionic acid 17.84
    o-xylene 2.71
    formic acid 352.4
    diethyl ether 6.14
    m-xylene 2.77
    p-xylene 1.72
    chlorobenzene 1.11
    dimethyl carbonate 16.84
    n-octane 0.94
    formamide 301.73
    cyclopentanone 25.77
    2-pentanone 12.33
    anisole 6.62
    cyclopentyl methyl ether 15.02
    gamma-butyrolactone 36.61
    1-methoxy-2-propanol 105.83
    pyridine 5.8
    3-pentanone 6.76
    furfural 42.56
    n-dodecane 0.72
    diethylene glycol 159.75
    diisopropyl ether 3.72
    tert-amyl alcohol 29.43
    acetylacetone 26.69
    n-hexadecane 0.76
    acetophenone 9.52
    methyl propionate 11.13
    isopentyl acetate 5.13
    trichloroethylene 8.71
    n-nonanol 11.06
    cyclohexanol 13.02
    benzyl alcohol 11.58
    2-ethylhexanol 7.59
    isooctanol 11.81
    dipropyl ether 5.9
    1,2-dichlorobenzene 2.55
    ethyl lactate 15.76
    propylene carbonate 14.58
    n-methylformamide 108.55
    2-pentanol 10.78
    n-pentane 0.62
    1-propoxy-2-propanol 33.31
    1-methoxy-2-propyl acetate 15.64
    2-(2-methoxypropoxy) propanol 37.04
    mesitylene 3.1
    ε-caprolactone 15.43
    p-cymene 2.76
    epichlorohydrin 36.07
    1,1,1-trichloroethane 3.94
    2-aminoethanol 137.51
    morpholine-4-carbaldehyde 123.35
    sulfolane 103.18
    2,2,4-trimethylpentane 0.75
    2-methyltetrahydrofuran 17.71
    n-hexyl acetate 8.24
    isooctane 0.74
    2-(2-butoxyethoxy)ethanol 49.88
    sec-butyl acetate 3.64
    tert-butyl acetate 14.54
    decalin 0.69
    glycerin 207.11
    diglyme 87.58
    acrylic acid 25.57
    isopropyl myristate 4.56
    n-butyric acid 18.06
    acetyl acetate 6.87
    di(2-ethylhexyl) phthalate 7.0
    ethyl propionate 5.72
    nitromethane 73.33
    1,2-diethoxyethane 11.03
    benzonitrile 4.17
    trioctyl phosphate 7.16
    1-bromopropane 1.62
    gamma-valerolactone 55.9
    n-decanol 8.4
    triethyl phosphate 6.18
    4-methyl-2-pentanol 10.75
    propionitrile 3.1
    vinylene carbonate 11.98
    1,1,2-trichlorotrifluoroethane 83.83
    DMS 7.84
    cumene 1.92
    2-octanol 8.83
    2-hexanone 6.18
    octyl acetate 6.65
    limonene 3.83
    1,2-dimethoxyethane 77.79
    ethyl orthosilicate 5.82
    tributyl phosphate 5.34
    diacetone alcohol 51.71
    N,N-dimethylaniline 9.19
    acrylonitrile 6.53
    aniline 4.03
    1,3-propanediol 126.95
    bromobenzene 0.84
    dibromomethane 2.62
    1,1,2,2-tetrachloroethane 10.38
    2-methyl-cyclohexyl acetate 6.13
    tetrabutyl urea 10.61
    diisobutyl methanol 7.23
    2-phenylethanol 13.32
    styrene 1.1
    dioctyl adipate 6.79
    dimethyl sulfate 53.46
    ethyl butyrate 5.28
    methyl lactate 38.93
    butyl lactate 11.55
    diethyl carbonate 3.6
    propanediol butyl ether 39.53
    triethyl orthoformate 5.71
    p-tert-butyltoluene 3.13
    methyl 4-tert-butylbenzoate 20.89
    morpholine 49.57
    tert-butylamine 12.69
    n-dodecanol 6.41
    dimethoxymethane 92.18
    ethylene carbonate 9.11
    cyrene 47.09
    2-ethoxyethyl acetate 10.89
    2-ethylhexyl acetate 3.37
    1,2,4-trichlorobenzene 3.12
    4-methylpyridine 5.19
    dibutyl ether 4.34
    2,6-dimethyl-4-heptanol 7.23
    DEF 33.81
    dimethyl isosorbide 48.52
    tetrachloroethylene 12.2
    eugenol 28.33
    triacetin 11.47
    span 80 27.15
    1,4-butanediol 59.13
    1,1-dichloroethane 2.48
    2-methyl-1-pentanol 10.82
    methyl formate 71.33
    2-methyl-1-butanol 11.76
    n-decane 1.06
    butyronitrile 3.5
    3,7-dimethyl-1-octanol 9.76
    1-chlorooctane 2.88
    1-chlorotetradecane 1.48
    n-nonane 1.02
    undecane 0.86
    tert-butylcyclohexane 0.71
    cyclooctane 0.7
    cyclopentanol 19.43
    tetrahydropyran 9.34
    tert-amyl methyl ether 10.38
    2,5,8-trioxanonane 68.41
    1-hexene 1.1
    2-isopropoxyethanol 48.37
    2,2,2-trifluoroethanol 81.9
    methyl butyrate 8.24

    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