Propanoic acid, 2-hydroxy-2-methyl-, methyl ester

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  • Identifiers

    CAS number
    2110-78-3

    Molecular formula
    C5H10O3

    SMILES
    CC(C)(C(=O)OC)O

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

  • Odor profile

    Fruity 86.41%
    Caramellic 55.54%
    Buttery 51.39%
    Ethereal 43.91%
    Nutty 42.83%
    Sweet 40.54%
    Creamy 35.18%
    Rummy 30.1%
    Milky 29.81%
    Winey 29.15%

    Scent© AI

  • Properties

    XLogP3-AA
    0.1

    Molecular weight
    118.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    129°C

    Flash point est.
    39.94 ˚C

  • Synonyms

    • Methyl 2-hydroxyisobutyrate
    • 2110-78-3
    • Methyl 2-hydroxy-2-methylpropanoate
    • Methyl 2-methyllactate
    • Propanoic acid, 2-hydroxy-2-methyl-, methyl ester
    • Methyl 2-hydroxy-2-methylpropionate
    • 2-Hydroxyisobutyric Acid Methyl Ester
    • Methyl2-hydroxyisobutyrate
    • methyl |A-hydroxyisobutyrate
    • Lactic acid, 2-methyl-, methyl ester
    • Methyl alpha-hydroxyisobutyrate
    • Methyl .alpha.-hydroxyisobutyrate
    • methyl 2-hydroxy-2-methyl-propanoate
    • Methyl-2-hydoxyisobutyric acid
    • AI3-09121
    • DTXSID5062184
    • NSC 7305
    • NSC 9381
    • NSC-7305
    • NSC-9381
    • EINECS 218-301-2
    • methyl-2-hydroxyisobutyrate
    • Methyl 2-?Hydroxy-?2-?methylpropanoate
    • MFCD00004457
    • Methyl ester of 2-methyllactic acid
    • Methyl 2methyllactate
    • methyl-hydoxyisobutyrate
    • Methyl hydroxyisobutyrate
    • LV7R5J7XPV
    • methyl-hydoxyisobutyric acid
    • methyl 2-hydroxy-isobutyrate
    • Methyl alphahydroxyisobutyrate
    • SCHEMBL134110
    • Methyl-2-hydroxyisobutyric acid
    • Methyl 2hydroxy2methylpropionate
    • DTXCID5036426
    • XYVQFUJDGOBPQI-UHFFFAOYSA-
    • NSC7305
    • NSC9381
    • CHEBI:166494
    • Methyl 2-hydroxyisobutyrate, 95%
    • CS-D1669
    • Lactic acid, 2methyl, methyl ester
    • methyl 2-hydroxy-2-methylpropaanoate
    • Methyl 2-Hydroxy-2-methyl-propionate
    • AKOS009158391
    • 2-Hydroxy-isobutyric acid methyl ester
    • 2-Hydroxyisobutyric acid, methyl ester
    • Methyl 2-hydroxy-2-methylpropanoate #
    • LS-13079
    • alpha-Hydroxy-isobutyric acid, methyl ester
    • DB-045484
    • Lactic acid, 2methyl, methyl ester (8CI)
    • H0256
    • NS00020167
    • Lactic acid, 2-methyl-, methyl ester (8CI)
    • Propanoic acid, 2hydroxy2methyl, methyl ester
    • 2-Hydroxy-2-methyl-propionic acid methyl ester
    • E76053
    • EN300-140032
    • InChI=1/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3
    • 218-301-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2213.22
    methanol 3599.46
    isopropanol 1400.1
    water 424.71
    ethyl acetate 483.8
    n-propanol 1369.74
    acetone 948.46
    n-butanol 1175.7
    acetonitrile 861.54
    DMF 1594.05
    toluene 123.05
    isobutanol 898.84
    1,4-dioxane 1131.78
    methyl acetate 512.25
    THF 1143.7
    2-butanone 534.55
    n-pentanol 680.34
    sec-butanol 1100.87
    n-hexane 101.0
    ethylene glycol 935.2
    NMP 809.06
    cyclohexane 120.67
    DMSO 1153.49
    n-butyl acetate 225.26
    n-octanol 259.48
    chloroform 816.45
    n-propyl acetate 266.28
    acetic acid 2019.04
    dichloromethane 821.23
    cyclohexanone 555.76
    propylene glycol 768.38
    isopropyl acetate 276.21
    DMAc 913.39
    2-ethoxyethanol 1342.92
    isopentanol 749.28
    n-heptane 65.96
    ethyl formate 568.14
    1,2-dichloroethane 482.28
    n-hexanol 455.03
    2-methoxyethanol 2264.85
    isobutyl acetate 141.65
    tetrachloromethane 204.39
    n-pentyl acetate 168.85
    transcutol 1115.64
    n-heptanol 223.8
    ethylbenzene 95.46
    MIBK 305.14
    2-propoxyethanol 811.96
    tert-butanol 1609.25
    MTBE 781.37
    2-butoxyethanol 398.52
    propionic acid 775.07
    o-xylene 123.39
    formic acid 2551.06
    diethyl ether 762.07
    m-xylene 112.76
    p-xylene 126.84
    chlorobenzene 160.81
    dimethyl carbonate 193.52
    n-octane 29.22
    formamide 2055.93
    cyclopentanone 614.88
    2-pentanone 505.46
    anisole 242.44
    cyclopentyl methyl ether 531.8
    gamma-butyrolactone 747.48
    1-methoxy-2-propanol 1163.0
    pyridine 394.11
    3-pentanone 343.99
    furfural 680.29
    n-dodecane 20.61
    diethylene glycol 810.89
    diisopropyl ether 206.37
    tert-amyl alcohol 1174.24
    acetylacetone 440.91
    n-hexadecane 21.43
    acetophenone 221.77
    methyl propionate 406.83
    isopentyl acetate 206.42
    trichloroethylene 740.76
    n-nonanol 201.55
    cyclohexanol 688.18
    benzyl alcohol 269.45
    2-ethylhexanol 220.13
    isooctanol 168.48
    dipropyl ether 236.26
    1,2-dichlorobenzene 170.56
    ethyl lactate 184.53
    propylene carbonate 381.73
    n-methylformamide 1251.4
    2-pentanol 721.12
    n-pentane 140.09
    1-propoxy-2-propanol 409.88
    1-methoxy-2-propyl acetate 240.18
    2-(2-methoxypropoxy) propanol 265.67
    mesitylene 86.09
    ε-caprolactone 488.82
    p-cymene 79.74
    epichlorohydrin 782.8
    1,1,1-trichloroethane 368.42
    2-aminoethanol 1267.19
    morpholine-4-carbaldehyde 991.01
    sulfolane 721.47
    2,2,4-trimethylpentane 77.69
    2-methyltetrahydrofuran 787.51
    n-hexyl acetate 258.12
    isooctane 50.1
    2-(2-butoxyethoxy)ethanol 385.87
    sec-butyl acetate 168.89
    tert-butyl acetate 354.14
    decalin 48.45
    glycerin 929.3
    diglyme 706.1
    acrylic acid 721.5
    isopropyl myristate 93.11
    n-butyric acid 862.03
    acetyl acetate 271.65
    di(2-ethylhexyl) phthalate 96.63
    ethyl propionate 236.06
    nitromethane 1842.66
    1,2-diethoxyethane 329.23
    benzonitrile 230.42
    trioctyl phosphate 81.56
    1-bromopropane 330.31
    gamma-valerolactone 911.34
    n-decanol 140.56
    triethyl phosphate 105.47
    4-methyl-2-pentanol 338.96
    propionitrile 528.66
    vinylene carbonate 384.11
    1,1,2-trichlorotrifluoroethane 738.35
    DMS 177.14
    cumene 86.16
    2-octanol 168.68
    2-hexanone 280.72
    octyl acetate 124.58
    limonene 131.6
    1,2-dimethoxyethane 1314.73
    ethyl orthosilicate 109.47
    tributyl phosphate 96.6
    diacetone alcohol 496.49
    N,N-dimethylaniline 202.53
    acrylonitrile 555.44
    aniline 267.16
    1,3-propanediol 1468.27
    bromobenzene 129.56
    dibromomethane 550.68
    1,1,2,2-tetrachloroethane 608.5
    2-methyl-cyclohexyl acetate 156.93
    tetrabutyl urea 126.96
    diisobutyl methanol 141.92
    2-phenylethanol 212.3
    styrene 104.13
    dioctyl adipate 131.35
    dimethyl sulfate 303.0
    ethyl butyrate 184.9
    methyl lactate 275.76
    butyl lactate 162.03
    diethyl carbonate 124.62
    propanediol butyl ether 356.12
    triethyl orthoformate 144.34
    p-tert-butyltoluene 84.41
    methyl 4-tert-butylbenzoate 209.21
    morpholine 1322.66
    tert-butylamine 984.81
    n-dodecanol 105.32
    dimethoxymethane 968.56
    ethylene carbonate 312.39
    cyrene 288.89
    2-ethoxyethyl acetate 212.37
    2-ethylhexyl acetate 154.55
    1,2,4-trichlorobenzene 204.54
    4-methylpyridine 386.13
    dibutyl ether 172.98
    2,6-dimethyl-4-heptanol 141.92
    DEF 636.35
    dimethyl isosorbide 349.07
    tetrachloroethylene 508.52
    eugenol 210.28
    triacetin 201.49
    span 80 218.78
    1,4-butanediol 672.32
    1,1-dichloroethane 467.91
    2-methyl-1-pentanol 495.46
    methyl formate 953.66
    2-methyl-1-butanol 776.34
    n-decane 37.15
    butyronitrile 566.96
    3,7-dimethyl-1-octanol 215.08
    1-chlorooctane 115.9
    1-chlorotetradecane 44.35
    n-nonane 38.22
    undecane 26.04
    tert-butylcyclohexane 55.36
    cyclooctane 46.04
    cyclopentanol 707.63
    tetrahydropyran 821.12
    tert-amyl methyl ether 603.83
    2,5,8-trioxanonane 429.01
    1-hexene 217.56
    2-isopropoxyethanol 658.83
    2,2,2-trifluoroethanol 769.37
    methyl butyrate 343.23

    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