Methyl 2-hydroxy-4-methylpentanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    40348-72-9

    Molecular formula
    C7H14O3

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

  • Odor profile

    Fruity 96.26%
    Caramellic 52.79%
    Buttery 51.06%
    Sweet 50.77%
    Winey 47.95%
    Ethereal 38.04%
    Pineapple 35.25%
    Berry 34.91%
    Cheesy 32.78%
    Creamy 31.78%

    Scent© AI

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.76 (neutral)

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    184°C

    Flash point est.
    73.11 ˚C

    Solubility expt.

    • slightly soluble in water; soluble in fat

  • Synonyms

    • Methyl 2-hydroxy-4-methylpentanoate
    • 40348-72-9
    • Methyl 2-hydroxy-4-methylvalerate
    • Methyl 2-hydroxyisocaproate
    • Methyl DL-Leucate
    • Valeric acid, 2-hydroxy-4-methyl-, methyl ester
    • Pentanoic acid, 2-hydroxy-4-methyl-, methyl ester
    • FEMA No. 3706
    • methyl 2-hydroxy-4-methyl valerate
    • G89113PPP5
    • EINECS 254-883-4
    • DTXSID60865995
    • METHYL 2-HYDROXY-4-METHYLPENTANOATE [FHFI]
    • (+/-)-METHYL 2-HYDROXY-4-METHYLPENTANOATE
    • METHYL 2-HYDROXY-4-METHYLPENTANOATE-(+/-)-
    • methyl leucate
    • UNII-G89113PPP5
    • MFCD20482702
    • MFCD16693832
    • 2-hydroxy-4-methylpentanoic acid methyl ester
    • SCHEMBL1566456
    • FEMA 3706
    • Methyl2-hydroxy-4-methylvalerate
    • DTXCID30814339
    • CHEBI:169035
    • QBA34872
    • LMFA07010959
    • AKOS011495548
    • Methyl 2-hydroxy-4-methylpentanoate #
    • CS-15461
    • DA-06113
    • HY-22167
    • Methyl (R)-2-Hydroxy-4-methylpentanoate
    • SY324755
    • CS-0033017
    • NS00057607
    • EN300-80234
    • C13521
    • Q27278924
    • F8889-5954
    • Z965047572
    • 254-883-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 572.61
    methanol 1033.16
    isopropanol 317.15
    water 17.59
    ethyl acetate 29.26
    n-propanol 302.39
    acetone 79.75
    n-butanol 240.3
    acetonitrile 63.89
    DMF 227.63
    toluene 14.48
    isobutanol 160.81
    1,4-dioxane 316.69
    methyl acetate 47.5
    THF 231.88
    2-butanone 47.05
    n-pentanol 155.2
    sec-butanol 198.38
    n-hexane 4.59
    ethylene glycol 284.48
    NMP 155.35
    cyclohexane 13.91
    DMSO 251.57
    n-butyl acetate 44.71
    n-octanol 67.64
    chloroform 159.24
    n-propyl acetate 30.16
    acetic acid 458.84
    dichloromethane 130.09
    cyclohexanone 100.22
    propylene glycol 236.85
    isopropyl acetate 17.55
    DMAc 121.25
    2-ethoxyethanol 245.48
    isopentanol 128.88
    n-heptane 6.18
    ethyl formate 83.58
    1,2-dichloroethane 67.36
    n-hexanol 138.83
    2-methoxyethanol 522.73
    isobutyl acetate 21.23
    tetrachloromethane 24.05
    n-pentyl acetate 33.2
    transcutol 323.84
    n-heptanol 72.28
    ethylbenzene 16.22
    MIBK 23.29
    2-propoxyethanol 203.91
    tert-butanol 244.92
    MTBE 55.14
    2-butoxyethanol 131.71
    propionic acid 149.69
    o-xylene 18.7
    formic acid 422.14
    diethyl ether 41.69
    m-xylene 14.1
    p-xylene 22.1
    chlorobenzene 36.16
    dimethyl carbonate 15.34
    n-octane 3.63
    formamide 313.88
    cyclopentanone 100.47
    2-pentanone 30.26
    anisole 44.51
    cyclopentyl methyl ether 47.79
    gamma-butyrolactone 129.81
    1-methoxy-2-propanol 217.32
    pyridine 98.4
    3-pentanone 18.74
    furfural 177.34
    n-dodecane 3.84
    diethylene glycol 260.45
    diisopropyl ether 8.88
    tert-amyl alcohol 167.74
    acetylacetone 38.41
    n-hexadecane 4.15
    acetophenone 46.39
    methyl propionate 27.32
    isopentyl acetate 43.75
    trichloroethylene 128.64
    n-nonanol 56.75
    cyclohexanol 154.97
    benzyl alcohol 83.2
    2-ethylhexanol 66.31
    isooctanol 52.67
    dipropyl ether 27.47
    1,2-dichlorobenzene 41.5
    ethyl lactate 42.88
    propylene carbonate 80.23
    n-methylformamide 188.5
    2-pentanol 88.43
    n-pentane 5.56
    1-propoxy-2-propanol 111.38
    1-methoxy-2-propyl acetate 43.87
    2-(2-methoxypropoxy) propanol 100.77
    mesitylene 11.34
    ε-caprolactone 99.69
    p-cymene 18.88
    epichlorohydrin 145.59
    1,1,1-trichloroethane 39.54
    2-aminoethanol 405.72
    morpholine-4-carbaldehyde 210.47
    sulfolane 169.13
    2,2,4-trimethylpentane 5.25
    2-methyltetrahydrofuran 113.96
    n-hexyl acetate 56.1
    isooctane 3.44
    2-(2-butoxyethoxy)ethanol 155.09
    sec-butyl acetate 17.01
    tert-butyl acetate 27.01
    decalin 7.37
    glycerin 317.87
    diglyme 228.1
    acrylic acid 155.63
    isopropyl myristate 22.11
    n-butyric acid 162.79
    acetyl acetate 24.03
    di(2-ethylhexyl) phthalate 40.71
    ethyl propionate 21.25
    nitromethane 222.22
    1,2-diethoxyethane 56.98
    benzonitrile 65.52
    trioctyl phosphate 29.73
    1-bromopropane 31.77
    gamma-valerolactone 186.13
    n-decanol 42.4
    triethyl phosphate 27.13
    4-methyl-2-pentanol 41.75
    propionitrile 55.07
    vinylene carbonate 86.09
    1,1,2-trichlorotrifluoroethane 203.34
    DMS 33.21
    cumene 15.99
    2-octanol 41.38
    2-hexanone 34.18
    octyl acetate 34.87
    limonene 27.82
    1,2-dimethoxyethane 233.82
    ethyl orthosilicate 27.69
    tributyl phosphate 27.27
    diacetone alcohol 69.77
    N,N-dimethylaniline 37.02
    acrylonitrile 75.93
    aniline 53.14
    1,3-propanediol 468.63
    bromobenzene 25.06
    dibromomethane 78.57
    1,1,2,2-tetrachloroethane 122.12
    2-methyl-cyclohexyl acetate 45.71
    tetrabutyl urea 40.05
    diisobutyl methanol 32.11
    2-phenylethanol 77.2
    styrene 18.25
    dioctyl adipate 42.49
    dimethyl sulfate 30.23
    ethyl butyrate 30.81
    methyl lactate 50.89
    butyl lactate 50.96
    diethyl carbonate 27.91
    propanediol butyl ether 149.38
    triethyl orthoformate 32.65
    p-tert-butyltoluene 18.93
    methyl 4-tert-butylbenzoate 58.84
    morpholine 344.81
    tert-butylamine 117.74
    n-dodecanol 32.06
    dimethoxymethane 88.08
    ethylene carbonate 68.01
    cyrene 98.97
    2-ethoxyethyl acetate 47.01
    2-ethylhexyl acetate 32.36
    1,2,4-trichlorobenzene 52.5
    4-methylpyridine 69.19
    dibutyl ether 27.71
    2,6-dimethyl-4-heptanol 32.11
    DEF 52.57
    dimethyl isosorbide 121.98
    tetrachloroethylene 95.18
    eugenol 78.47
    triacetin 51.46
    span 80 111.68
    1,4-butanediol 197.78
    1,1-dichloroethane 47.84
    2-methyl-1-pentanol 105.79
    methyl formate 122.22
    2-methyl-1-butanol 123.66
    n-decane 5.54
    butyronitrile 72.88
    3,7-dimethyl-1-octanol 52.83
    1-chlorooctane 21.56
    1-chlorotetradecane 9.91
    n-nonane 4.98
    undecane 4.5
    tert-butylcyclohexane 6.82
    cyclooctane 3.97
    cyclopentanol 165.83
    tetrahydropyran 148.38
    tert-amyl methyl ether 40.31
    2,5,8-trioxanonane 173.23
    1-hexene 16.92
    2-isopropoxyethanol 120.1
    2,2,2-trifluoroethanol 118.49
    methyl butyrate 40.96

    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