(2S)-2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid

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  • Identifiers

    CAS number
    25039-18-3

    Molecular formula
    C8H16O4

    SMILES
    CC(C)[C@](C(C)OC)(C(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 59.25%
    Odorless 40.15%
    Buttery 37.3%
    Milky 29.86%
    Creamy 25.44%
    Dairy 22.15%
    Mint 20.55%
    Cooling 19.65%
    Caramellic 19.49%
    Berry 18.78%

     

    Flavor
    Fruity 63.99%
    Odorless 35.19%
    Creamy 24.23%
    Mild 21.96%
    Berry 21.87%
    Sweet-like 21.27%
    Buttery 21.03%
    Sweet 20.95%
    Dried berry 19.8%
    Bland 19.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    6.83 (neutral)

    Molecular weight
    176.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    266°C

    Flash point

    • 113.18 ˚C est.

  • Synonyms

    • Heliotric acid
    • 25039-18-3
    • (2S)-2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid
    • Heliotrinic acid
    • DTXSID00947901
    • Butyric acid, 2-hydroxy-2-isopropyl-3-methoxy-, (2S,3R)-(-)-
    • BUTANOIC ACID, 2-HYDROXY-2-(1-METHOXYETHYL)-3-METHYL-, (R-(R*,S*))-
    • 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid
    • 25039-18-3

  • Applications

    The chemical, (2S)-2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid (CAS 25039-18-3), serves primarily as a chiral building block and synthetic intermediate in chemical manufacturing. It is commonly evaluated as a precursor for pharmaceutical and agrochemical molecules, including chiral esters and related derivatives. In fragrance and cosmetics development it may be used as a chiral building block for aroma compounds. It also functions as a versatile intermediate in fine chemicals and specialty polymer-related syntheses for materials and additives. Its applications are typically formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 530.09
    methanol 967.58
    isopropanol 339.96
    water 38.54
    ethyl acetate 132.91
    n-propanol 396.31
    acetone 179.95
    n-butanol 250.87
    acetonitrile 143.19
    DMF 462.99
    toluene 27.1
    isobutanol 231.87
    1,4-dioxane 818.54
    methyl acetate 156.29
    THF 579.02
    2-butanone 155.15
    n-pentanol 200.5
    sec-butanol 299.62
    n-hexane 11.2
    ethylene glycol 421.55
    NMP 382.52
    cyclohexane 15.9
    DMSO 878.17
    n-butyl acetate 73.55
    n-octanol 89.87
    chloroform 206.62
    n-propyl acetate 72.35
    acetic acid 383.29
    dichloromethane 216.26
    cyclohexanone 244.93
    propylene glycol 303.19
    isopropyl acetate 80.98
    DMAc 236.71
    2-ethoxyethanol 450.02
    isopentanol 165.09
    n-heptane 9.28
    ethyl formate 149.07
    1,2-dichloroethane 179.86
    n-hexanol 183.23
    2-methoxyethanol 742.19
    isobutyl acetate 40.57
    tetrachloromethane 57.23
    n-pentyl acetate 63.67
    transcutol 318.8
    n-heptanol 103.58
    ethylbenzene 29.01
    MIBK 92.85
    2-propoxyethanol 373.25
    tert-butanol 393.01
    MTBE 169.19
    2-butoxyethanol 190.49
    propionic acid 248.26
    o-xylene 39.28
    formic acid 508.62
    diethyl ether 152.36
    m-xylene 35.21
    p-xylene 32.91
    chlorobenzene 58.49
    dimethyl carbonate 54.92
    n-octane 6.28
    formamide 460.95
    cyclopentanone 323.92
    2-pentanone 124.64
    anisole 81.39
    cyclopentyl methyl ether 188.29
    gamma-butyrolactone 443.36
    1-methoxy-2-propanol 417.44
    pyridine 141.3
    3-pentanone 85.33
    furfural 303.56
    n-dodecane 4.95
    diethylene glycol 447.31
    diisopropyl ether 44.38
    tert-amyl alcohol 320.97
    acetylacetone 147.73
    n-hexadecane 5.42
    acetophenone 83.2
    methyl propionate 124.22
    isopentyl acetate 69.37
    trichloroethylene 249.55
    n-nonanol 74.28
    cyclohexanol 213.11
    benzyl alcohol 111.87
    2-ethylhexanol 82.38
    isooctanol 78.14
    dipropyl ether 53.81
    1,2-dichlorobenzene 68.79
    ethyl lactate 73.18
    propylene carbonate 170.91
    n-methylformamide 387.93
    2-pentanol 162.73
    n-pentane 12.71
    1-propoxy-2-propanol 190.63
    1-methoxy-2-propyl acetate 114.29
    2-(2-methoxypropoxy) propanol 110.45
    mesitylene 29.08
    ε-caprolactone 246.66
    p-cymene 28.35
    epichlorohydrin 415.86
    1,1,1-trichloroethane 106.01
    2-aminoethanol 546.85
    morpholine-4-carbaldehyde 419.85
    sulfolane 619.54
    2,2,4-trimethylpentane 13.36
    2-methyltetrahydrofuran 357.14
    n-hexyl acetate 94.97
    isooctane 10.03
    2-(2-butoxyethoxy)ethanol 176.12
    sec-butyl acetate 45.75
    tert-butyl acetate 110.23
    decalin 12.58
    glycerin 442.78
    diglyme 278.82
    acrylic acid 212.7
    isopropyl myristate 34.42
    n-butyric acid 220.62
    acetyl acetate 66.85
    di(2-ethylhexyl) phthalate 45.68
    ethyl propionate 65.02
    nitromethane 431.74
    1,2-diethoxyethane 93.63
    benzonitrile 82.64
    trioctyl phosphate 41.16
    1-bromopropane 79.1
    gamma-valerolactone 468.6
    n-decanol 53.18
    triethyl phosphate 35.71
    4-methyl-2-pentanol 85.34
    propionitrile 106.87
    vinylene carbonate 152.0
    1,1,2-trichlorotrifluoroethane 329.66
    DMS 68.08
    cumene 28.32
    2-octanol 68.14
    2-hexanone 80.49
    octyl acetate 50.88
    limonene 45.72
    1,2-dimethoxyethane 409.31
    ethyl orthosilicate 36.74
    tributyl phosphate 36.53
    diacetone alcohol 191.43
    N,N-dimethylaniline 65.26
    acrylonitrile 139.92
    aniline 83.58
    1,3-propanediol 523.06
    bromobenzene 45.81
    dibromomethane 139.8
    1,1,2,2-tetrachloroethane 235.31
    2-methyl-cyclohexyl acetate 64.22
    tetrabutyl urea 50.43
    diisobutyl methanol 49.83
    2-phenylethanol 113.32
    styrene 27.3
    dioctyl adipate 48.78
    dimethyl sulfate 133.44
    ethyl butyrate 50.18
    methyl lactate 117.5
    butyl lactate 74.31
    diethyl carbonate 31.27
    propanediol butyl ether 161.03
    triethyl orthoformate 43.58
    p-tert-butyltoluene 31.07
    methyl 4-tert-butylbenzoate 104.26
    morpholine 740.43
    tert-butylamine 186.18
    n-dodecanol 38.86
    dimethoxymethane 274.84
    ethylene carbonate 132.77
    cyrene 156.43
    2-ethoxyethyl acetate 88.64
    2-ethylhexyl acetate 50.75
    1,2,4-trichlorobenzene 87.45
    4-methylpyridine 112.6
    dibutyl ether 39.07
    2,6-dimethyl-4-heptanol 49.83
    DEF 150.66
    dimethyl isosorbide 182.24
    tetrachloroethylene 201.64
    eugenol 110.21
    triacetin 77.17
    span 80 112.28
    1,4-butanediol 269.51
    1,1-dichloroethane 125.25
    2-methyl-1-pentanol 130.26
    methyl formate 298.92
    2-methyl-1-butanol 173.56
    n-decane 8.27
    butyronitrile 101.03
    3,7-dimethyl-1-octanol 65.15
    1-chlorooctane 38.02
    1-chlorotetradecane 13.61
    n-nonane 8.09
    undecane 6.17
    tert-butylcyclohexane 13.06
    cyclooctane 7.75
    cyclopentanol 298.84
    tetrahydropyran 331.02
    tert-amyl methyl ether 123.14
    2,5,8-trioxanonane 187.66
    1-hexene 32.56
    2-isopropoxyethanol 247.3
    2,2,2-trifluoroethanol 187.5
    methyl butyrate 93.33

    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