Methyl 2-hydroxy-3-methylpentanoate

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  • Identifiers

    CAS number
    41654-19-7

    Molecular formula
    C7H14O3

    SMILES
    CCC(C)C(C(=O)OC)O

    Retention indicies (RI)

    • Carbowax: 1505.0

  • Odor profile

    Fruity 95.5%
    Buttery 49.39%
    Caramellic 48.03%
    Berry 35.0%
    Winey 30.83%
    Sweet 30.54%
    Creamy 28.82%
    Pineapple 28.64%
    Ethereal 27.94%
    Nutty 27.64%

    Scent© AI

  • Properties

    XLogP3-AA
    1.2

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    182°C

    Flash point est.
    72.81 ˚C

  • Synonyms

    • Methyl 2-hydroxy-3-methylpentanoate
    • 41654-19-7
    • Pentanoic acid, 2-hydroxy-3-methyl-, methyl ester
    • DTXSID30334542
    • 2-Hydroxy-3-methyl-pentanoic acid methyl ester
    • SCHEMBL9458330
    • DTXCID40285632
    • OQXGUAUSWWFHOM-UHFFFAOYSA-N
    • Methyl2-hydroxy-3-methylpentanoate
    • RBA65419
    • MFCD30093565
    • AKOS011496123
    • Methyl 2-hydroxy-3-methylpentanoate #
    • SY325201
    • CS-0235967
    • E82553
    • EN300-1659580

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 501.55
    methanol 687.7
    isopropanol 404.95
    water 21.16
    ethyl acetate 78.07
    n-propanol 355.96
    acetone 129.57
    n-butanol 231.13
    acetonitrile 148.55
    DMF 338.27
    toluene 22.52
    isobutanol 242.35
    1,4-dioxane 494.54
    methyl acetate 154.93
    THF 272.4
    2-butanone 118.74
    n-pentanol 200.35
    sec-butanol 316.12
    n-hexane 5.14
    ethylene glycol 311.78
    NMP 275.37
    cyclohexane 16.43
    DMSO 419.91
    n-butyl acetate 75.32
    n-octanol 107.3
    chloroform 343.98
    n-propyl acetate 66.7
    acetic acid 462.62
    dichloromethane 319.58
    cyclohexanone 196.25
    propylene glycol 303.28
    isopropyl acetate 45.86
    DMAc 233.64
    2-ethoxyethanol 350.3
    isopentanol 153.74
    n-heptane 6.35
    ethyl formate 146.04
    1,2-dichloroethane 164.97
    n-hexanol 155.61
    2-methoxyethanol 550.68
    isobutyl acetate 43.13
    tetrachloromethane 59.27
    n-pentyl acetate 73.17
    transcutol 440.68
    n-heptanol 117.02
    ethylbenzene 27.97
    MIBK 46.01
    2-propoxyethanol 251.99
    tert-butanol 368.58
    MTBE 123.82
    2-butoxyethanol 204.1
    propionic acid 283.53
    o-xylene 34.64
    formic acid 395.17
    diethyl ether 63.88
    m-xylene 24.14
    p-xylene 42.26
    chlorobenzene 79.18
    dimethyl carbonate 31.78
    n-octane 5.75
    formamide 400.88
    cyclopentanone 192.29
    2-pentanone 57.64
    anisole 77.0
    cyclopentyl methyl ether 71.42
    gamma-butyrolactone 297.59
    1-methoxy-2-propanol 272.92
    pyridine 179.54
    3-pentanone 43.3
    furfural 315.73
    n-dodecane 6.28
    diethylene glycol 307.51
    diisopropyl ether 20.66
    tert-amyl alcohol 320.3
    acetylacetone 82.49
    n-hexadecane 7.05
    acetophenone 88.18
    methyl propionate 69.06
    isopentyl acetate 77.12
    trichloroethylene 339.36
    n-nonanol 88.52
    cyclohexanol 195.14
    benzyl alcohol 125.39
    2-ethylhexanol 93.93
    isooctanol 93.51
    dipropyl ether 31.61
    1,2-dichlorobenzene 95.58
    ethyl lactate 73.55
    propylene carbonate 155.29
    n-methylformamide 302.36
    2-pentanol 126.12
    n-pentane 5.78
    1-propoxy-2-propanol 157.97
    1-methoxy-2-propyl acetate 77.34
    2-(2-methoxypropoxy) propanol 145.98
    mesitylene 21.55
    ε-caprolactone 193.87
    p-cymene 34.38
    epichlorohydrin 302.77
    1,1,1-trichloroethane 123.69
    2-aminoethanol 428.77
    morpholine-4-carbaldehyde 317.12
    sulfolane 392.63
    2,2,4-trimethylpentane 9.64
    2-methyltetrahydrofuran 187.64
    n-hexyl acetate 114.2
    isooctane 6.13
    2-(2-butoxyethoxy)ethanol 211.67
    sec-butyl acetate 38.82
    tert-butyl acetate 62.16
    decalin 11.77
    glycerin 384.81
    diglyme 336.62
    acrylic acid 274.28
    isopropyl myristate 40.53
    n-butyric acid 223.53
    acetyl acetate 57.5
    di(2-ethylhexyl) phthalate 61.15
    ethyl propionate 44.4
    nitromethane 423.04
    1,2-diethoxyethane 95.56
    benzonitrile 129.25
    trioctyl phosphate 49.27
    1-bromopropane 61.86
    gamma-valerolactone 324.95
    n-decanol 66.25
    triethyl phosphate 42.23
    4-methyl-2-pentanol 65.43
    propionitrile 111.48
    vinylene carbonate 178.34
    1,1,2-trichlorotrifluoroethane 352.71
    DMS 68.67
    cumene 30.09
    2-octanol 78.43
    2-hexanone 64.78
    octyl acetate 60.14
    limonene 47.09
    1,2-dimethoxyethane 302.71
    ethyl orthosilicate 39.51
    tributyl phosphate 45.77
    diacetone alcohol 130.95
    N,N-dimethylaniline 60.83
    acrylonitrile 173.66
    aniline 80.5
    1,3-propanediol 461.58
    bromobenzene 61.35
    dibromomethane 173.85
    1,1,2,2-tetrachloroethane 299.56
    2-methyl-cyclohexyl acetate 75.1
    tetrabutyl urea 58.55
    diisobutyl methanol 50.42
    2-phenylethanol 119.23
    styrene 32.67
    dioctyl adipate 68.81
    dimethyl sulfate 75.26
    ethyl butyrate 50.93
    methyl lactate 89.96
    butyl lactate 85.94
    diethyl carbonate 43.67
    propanediol butyl ether 211.51
    triethyl orthoformate 46.67
    p-tert-butyltoluene 33.5
    methyl 4-tert-butylbenzoate 113.9
    morpholine 467.88
    tert-butylamine 181.67
    n-dodecanol 49.58
    dimethoxymethane 114.53
    ethylene carbonate 127.9
    cyrene 149.9
    2-ethoxyethyl acetate 99.28
    2-ethylhexyl acetate 55.77
    1,2,4-trichlorobenzene 125.66
    4-methylpyridine 113.73
    dibutyl ether 44.22
    2,6-dimethyl-4-heptanol 50.42
    DEF 103.92
    dimethyl isosorbide 184.65
    tetrachloroethylene 238.36
    eugenol 133.29
    triacetin 97.1
    span 80 146.5
    1,4-butanediol 242.57
    1,1-dichloroethane 131.4
    2-methyl-1-pentanol 149.48
    methyl formate 203.57
    2-methyl-1-butanol 170.99
    n-decane 9.64
    butyronitrile 106.04
    3,7-dimethyl-1-octanol 82.53
    1-chlorooctane 42.43
    1-chlorotetradecane 17.99
    n-nonane 8.64
    undecane 7.7
    tert-butylcyclohexane 11.3
    cyclooctane 5.33
    cyclopentanol 254.35
    tetrahydropyran 198.77
    tert-amyl methyl ether 82.82
    2,5,8-trioxanonane 235.69
    1-hexene 20.2
    2-isopropoxyethanol 205.44
    2,2,2-trifluoroethanol 182.21
    methyl butyrate 82.36

    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

Botanical

Name CAS Botanical Proportion
Origanum syriacum (Turkey) 2 Origanum syriacum L. var. bevanii (Holmes) Ietswaart, fam. Lamiaceae 0.04%
Marjoram, sweet (Turkey) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.02%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.05%
Colocasia esculenta (Taro) Colocasia esculenta (L.) Schott, fam. Araceae 0.5%
Soursop, fruit Annona muricata L., fam. Annonaceae 1.3%
Baga fruit Annona glabra L., fam. Annonaceae 0.1%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 0.01%