Ethyl 2-hydroxy-4-methylvalerate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    10348-47-7

    Molecular formula
    C8H16O3

    SMILES
    CCOC(=O)C(CC(C)C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 95.15%
    Winey 49.51%
    Caramellic 44.72%
    Buttery 44.03%
    Sweet 40.86%
    Apple 34.95%
    Berry 34.22%
    Pineapple 33.87%
    Ethereal 32.86%
    Oily 29.95%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    192°C

    Flash point est.
    76.49 ˚C

  • Synonyms

    • Ethyl DL-Leucate
    • 10348-47-7
    • Ethyl 2-hydroxy-4-methylvalerate
    • Ethyl 2-hydroxy-4-methylpentanoate
    • Pentanoic acid, 2-hydroxy-4-methyl-, ethyl ester
    • Ethyl 2-hydroxyisocaproate
    • Ethyl 2-hydroxy-iso-hexanoate
    • 3M5TB4Z168
    • EINECS 233-760-9
    • MFCD11975417
    • DL-Leucic Acid Ethyl Ester
    • DTXSID70908443
    • Ethyl2-hydroxy-4-methylpentanoate
    • ETHYL LEUCATE, (+/-)-
    • Ethyl DL-2-Hydroxy-4-methylvalerate
    • VALERIC ACID, 2-HYDROXY-4-METHYL-, ETHYL ESTER
    • EthylDL-Leucate
    • UNII-3M5TB4Z168
    • 2-Hydroxy-4-methylpentanoic acid ethyl ester
    • 2-hydroxy4-methyl ethyl valerate
    • SCHEMBL3619295
    • ethyl 2-hydroxy4-methylvalerate
    • DTXCID10979076
    • CHEBI:173701
    • ethyl 2-hydroxy-4-methyl valerate
    • ethyl-2-hydroxy-4-methyl pentanoate
    • AKOS011496915
    • Ethyl 2-hydroxy-4-methylpentanoate #
    • HY-W114581
    • SB83899
    • AS-56778
    • SY052889
    • CS-0172268
    • E0802
    • NS00053461
    • DL-2-Hydroxy-4-methylvaleric Acid Ethyl Ester
    • Ethyl 2-hydroxy-4-methylpentanoate, AldrichCPR
    • Q27257620
    • 233-760-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1264.79
    methanol 2220.73
    isopropanol 980.64
    water 11.84
    ethyl acetate 137.9
    n-propanol 870.49
    acetone 348.05
    n-butanol 698.26
    acetonitrile 209.38
    DMF 674.47
    toluene 63.5
    isobutanol 528.52
    1,4-dioxane 766.11
    methyl acetate 182.86
    THF 679.56
    2-butanone 207.58
    n-pentanol 463.76
    sec-butanol 630.76
    n-hexane 31.32
    ethylene glycol 500.67
    NMP 416.2
    cyclohexane 67.0
    DMSO 636.05
    n-butyl acetate 209.53
    n-octanol 189.92
    chloroform 562.96
    n-propyl acetate 122.62
    acetic acid 1107.7
    dichloromethane 348.4
    cyclohexanone 384.68
    propylene glycol 490.93
    isopropyl acetate 103.7
    DMAc 385.87
    2-ethoxyethanol 565.41
    isopentanol 448.57
    n-heptane 21.09
    ethyl formate 247.92
    1,2-dichloroethane 252.87
    n-hexanol 506.87
    2-methoxyethanol 1068.75
    isobutyl acetate 91.96
    tetrachloromethane 88.0
    n-pentyl acetate 124.18
    transcutol 793.97
    n-heptanol 205.32
    ethylbenzene 61.42
    MIBK 112.95
    2-propoxyethanol 577.41
    tert-butanol 882.92
    MTBE 309.28
    2-butoxyethanol 328.7
    propionic acid 419.53
    o-xylene 66.03
    formic acid 644.93
    diethyl ether 204.54
    m-xylene 58.73
    p-xylene 83.34
    chlorobenzene 137.43
    dimethyl carbonate 55.45
    n-octane 13.13
    formamide 456.66
    cyclopentanone 351.81
    2-pentanone 150.82
    anisole 129.08
    cyclopentyl methyl ether 198.85
    gamma-butyrolactone 389.48
    1-methoxy-2-propanol 554.9
    pyridine 299.06
    3-pentanone 93.88
    furfural 444.67
    n-dodecane 13.17
    diethylene glycol 572.5
    diisopropyl ether 52.98
    tert-amyl alcohol 615.06
    acetylacetone 162.75
    n-hexadecane 14.13
    acetophenone 131.29
    methyl propionate 111.18
    isopentyl acetate 196.09
    trichloroethylene 451.99
    n-nonanol 155.65
    cyclohexanol 481.43
    benzyl alcohol 194.89
    2-ethylhexanol 209.26
    isooctanol 147.4
    dipropyl ether 110.23
    1,2-dichlorobenzene 136.49
    ethyl lactate 116.08
    propylene carbonate 245.38
    n-methylformamide 424.58
    2-pentanol 340.5
    n-pentane 32.38
    1-propoxy-2-propanol 337.88
    1-methoxy-2-propyl acetate 159.25
    2-(2-methoxypropoxy) propanol 228.2
    mesitylene 46.11
    ε-caprolactone 339.03
    p-cymene 56.24
    epichlorohydrin 425.62
    1,1,1-trichloroethane 204.15
    2-aminoethanol 763.12
    morpholine-4-carbaldehyde 489.97
    sulfolane 480.4
    2,2,4-trimethylpentane 25.69
    2-methyltetrahydrofuran 374.87
    n-hexyl acetate 196.7
    isooctane 17.83
    2-(2-butoxyethoxy)ethanol 350.86
    sec-butyl acetate 81.52
    tert-butyl acetate 133.91
    decalin 31.51
    glycerin 566.46
    diglyme 523.69
    acrylic acid 379.5
    isopropyl myristate 75.24
    n-butyric acid 537.37
    acetyl acetate 109.66
    di(2-ethylhexyl) phthalate 99.8
    ethyl propionate 82.78
    nitromethane 583.73
    1,2-diethoxyethane 197.28
    benzonitrile 189.74
    trioctyl phosphate 80.11
    1-bromopropane 153.06
    gamma-valerolactone 553.3
    n-decanol 113.65
    triethyl phosphate 73.46
    4-methyl-2-pentanol 164.85
    propionitrile 217.4
    vinylene carbonate 241.29
    1,1,2-trichlorotrifluoroethane 469.82
    DMS 110.95
    cumene 53.61
    2-octanol 130.98
    2-hexanone 143.26
    octyl acetate 104.82
    limonene 87.72
    1,2-dimethoxyethane 651.5
    ethyl orthosilicate 75.73
    tributyl phosphate 81.86
    diacetone alcohol 233.13
    N,N-dimethylaniline 105.66
    acrylonitrile 243.49
    aniline 164.57
    1,3-propanediol 905.67
    bromobenzene 111.63
    dibromomethane 252.74
    1,1,2,2-tetrachloroethane 446.07
    2-methyl-cyclohexyl acetate 126.06
    tetrabutyl urea 107.7
    diisobutyl methanol 109.74
    2-phenylethanol 200.43
    styrene 73.17
    dioctyl adipate 113.69
    dimethyl sulfate 101.32
    ethyl butyrate 113.52
    methyl lactate 146.73
    butyl lactate 144.4
    diethyl carbonate 87.79
    propanediol butyl ether 348.37
    triethyl orthoformate 100.16
    p-tert-butyltoluene 58.72
    methyl 4-tert-butylbenzoate 152.7
    morpholine 847.94
    tert-butylamine 471.45
    n-dodecanol 87.81
    dimethoxymethane 265.33
    ethylene carbonate 204.31
    cyrene 200.41
    2-ethoxyethyl acetate 148.07
    2-ethylhexyl acetate 138.22
    1,2,4-trichlorobenzene 164.37
    4-methylpyridine 249.54
    dibutyl ether 101.26
    2,6-dimethyl-4-heptanol 109.74
    DEF 202.81
    dimethyl isosorbide 284.56
    tetrachloroethylene 345.58
    eugenol 181.39
    triacetin 141.45
    span 80 251.1
    1,4-butanediol 417.1
    1,1-dichloroethane 243.85
    2-methyl-1-pentanol 337.74
    methyl formate 305.54
    2-methyl-1-butanol 412.68
    n-decane 20.38
    butyronitrile 260.14
    3,7-dimethyl-1-octanol 154.36
    1-chlorooctane 76.26
    1-chlorotetradecane 33.06
    n-nonane 19.06
    undecane 15.72
    tert-butylcyclohexane 30.06
    cyclooctane 17.35
    cyclopentanol 475.21
    tetrahydropyran 535.37
    tert-amyl methyl ether 193.66
    2,5,8-trioxanonane 356.34
    1-hexene 106.77
    2-isopropoxyethanol 319.51
    2,2,2-trifluoroethanol 261.26
    methyl butyrate 152.77

    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
Soursop, fruit Annona muricata L., fam. Annonaceae 7.2%
Baga fruit Annona glabra L., fam. Annonaceae 1.1%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 0.6%