Isobutyl lactate

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  • Identifiers

    CAS number
    585-24-0

    Molecular formula
    C7H14O3

    SMILES
    CC(C)COC(=O)C(C)O

  • Odor profile

    Fruity 88.05%
    Caramellic 70.2%
    Buttery 60.37%
    Sweet 55.6%
    Winey 50.29%
    Creamy 40.39%
    Ethereal 40.39%
    Milky 38.9%
    Dairy 32.48%
    Fermented 32.35%

    Scent© AI

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.8 (neutral)

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    179°C

    Flash point est.
    72.65 ˚C

  • Synonyms

    • Isobutyl lactate
    • 2-methylpropyl 2-hydroxypropanoate
    • 585-24-0
    • Propanoic acid, 2-hydroxy-, 2-methylpropyl ester
    • Isobutyl 2-hydroxypropanoate
    • 2-Methylpropyl 2-hydroxypropionate
    • EINECS 209-551-3
    • AI3-17815
    • DTXSID20862243
    • iso-butyl lactate
    • Isobutyl D-lactate
    • 2-methylpropyl2-hydroxypropanoate
    • isobutyl-D-lactate
    • R-(+)-isobutyl lactate
    • isobutyl 2-hydroxy propanoate
    • 73523-02-1
    • SCHEMBL767015
    • Isobutyl 2-hydroxypropanoate #
    • DTXCID20212623
    • AAA58524
    • AKOS006229869
    • DB-018086
    • NS00079904
    • EN300-197648
    • G23925
    • Z1198162798
    • 209-551-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 489.35
    methanol 692.44
    isopropanol 314.17
    water 15.48
    ethyl acetate 61.03
    n-propanol 295.72
    acetone 149.43
    n-butanol 263.19
    acetonitrile 93.08
    DMF 284.41
    toluene 27.94
    isobutanol 205.01
    1,4-dioxane 261.81
    methyl acetate 78.11
    THF 271.39
    2-butanone 106.43
    n-pentanol 189.77
    sec-butanol 244.85
    n-hexane 12.49
    ethylene glycol 211.96
    NMP 271.91
    cyclohexane 21.84
    DMSO 345.15
    n-butyl acetate 114.54
    n-octanol 114.33
    chloroform 225.72
    n-propyl acetate 65.54
    acetic acid 454.38
    dichloromethane 219.43
    cyclohexanone 184.92
    propylene glycol 233.89
    isopropyl acetate 45.76
    DMAc 234.03
    2-ethoxyethanol 276.6
    isopentanol 200.62
    n-heptane 15.24
    ethyl formate 123.49
    1,2-dichloroethane 117.13
    n-hexanol 193.08
    2-methoxyethanol 448.73
    isobutyl acetate 47.87
    tetrachloromethane 27.97
    n-pentyl acetate 74.69
    transcutol 411.45
    n-heptanol 117.45
    ethylbenzene 34.1
    MIBK 59.93
    2-propoxyethanol 243.58
    tert-butanol 326.54
    MTBE 121.24
    2-butoxyethanol 187.81
    propionic acid 182.37
    o-xylene 39.34
    formic acid 296.82
    diethyl ether 68.6
    m-xylene 29.98
    p-xylene 52.03
    chlorobenzene 59.36
    dimethyl carbonate 28.96
    n-octane 8.78
    formamide 233.46
    cyclopentanone 195.23
    2-pentanone 80.25
    anisole 80.89
    cyclopentyl methyl ether 84.26
    gamma-butyrolactone 221.46
    1-methoxy-2-propanol 256.35
    pyridine 128.86
    3-pentanone 47.36
    furfural 267.84
    n-dodecane 9.16
    diethylene glycol 254.32
    diisopropyl ether 22.46
    tert-amyl alcohol 266.84
    acetylacetone 88.88
    n-hexadecane 9.74
    acetophenone 101.89
    methyl propionate 55.38
    isopentyl acetate 115.74
    trichloroethylene 201.7
    n-nonanol 97.05
    cyclohexanol 181.6
    benzyl alcohol 119.85
    2-ethylhexanol 121.31
    isooctanol 92.86
    dipropyl ether 62.76
    1,2-dichlorobenzene 67.42
    ethyl lactate 68.83
    propylene carbonate 150.78
    n-methylformamide 180.61
    2-pentanol 141.53
    n-pentane 12.81
    1-propoxy-2-propanol 180.47
    1-methoxy-2-propyl acetate 95.61
    2-(2-methoxypropoxy) propanol 170.45
    mesitylene 24.33
    ε-caprolactone 177.18
    p-cymene 43.97
    epichlorohydrin 220.26
    1,1,1-trichloroethane 72.02
    2-aminoethanol 313.65
    morpholine-4-carbaldehyde 282.16
    sulfolane 308.41
    2,2,4-trimethylpentane 13.53
    2-methyltetrahydrofuran 187.74
    n-hexyl acetate 120.42
    isooctane 8.66
    2-(2-butoxyethoxy)ethanol 227.5
    sec-butyl acetate 43.22
    tert-butyl acetate 64.15
    decalin 16.41
    glycerin 294.76
    diglyme 307.89
    acrylic acid 185.61
    isopropyl myristate 50.32
    n-butyric acid 215.54
    acetyl acetate 47.79
    di(2-ethylhexyl) phthalate 79.77
    ethyl propionate 47.37
    nitromethane 267.86
    1,2-diethoxyethane 101.88
    benzonitrile 102.11
    trioctyl phosphate 60.87
    1-bromopropane 66.77
    gamma-valerolactone 282.52
    n-decanol 76.13
    triethyl phosphate 51.36
    4-methyl-2-pentanol 80.66
    propionitrile 81.54
    vinylene carbonate 145.5
    1,1,2-trichlorotrifluoroethane 262.26
    DMS 63.33
    cumene 36.11
    2-octanol 75.95
    2-hexanone 82.0
    octyl acetate 75.22
    limonene 66.6
    1,2-dimethoxyethane 295.31
    ethyl orthosilicate 48.57
    tributyl phosphate 60.13
    diacetone alcohol 133.8
    N,N-dimethylaniline 76.72
    acrylonitrile 108.01
    aniline 75.41
    1,3-propanediol 356.54
    bromobenzene 47.36
    dibromomethane 136.39
    1,1,2,2-tetrachloroethane 201.27
    2-methyl-cyclohexyl acetate 99.62
    tetrabutyl urea 83.69
    diisobutyl methanol 66.08
    2-phenylethanol 117.32
    styrene 36.63
    dioctyl adipate 91.01
    dimethyl sulfate 57.59
    ethyl butyrate 74.97
    methyl lactate 78.44
    butyl lactate 97.71
    diethyl carbonate 54.42
    propanediol butyl ether 219.94
    triethyl orthoformate 64.12
    p-tert-butyltoluene 42.98
    methyl 4-tert-butylbenzoate 118.56
    morpholine 292.72
    tert-butylamine 205.89
    n-dodecanol 59.86
    dimethoxymethane 116.86
    ethylene carbonate 109.11
    cyrene 160.05
    2-ethoxyethyl acetate 87.38
    2-ethylhexyl acetate 86.68
    1,2,4-trichlorobenzene 89.04
    4-methylpyridine 118.26
    dibutyl ether 61.18
    2,6-dimethyl-4-heptanol 66.08
    DEF 111.12
    dimethyl isosorbide 211.83
    tetrachloroethylene 136.56
    eugenol 136.93
    triacetin 107.56
    span 80 178.04
    1,4-butanediol 181.52
    1,1-dichloroethane 93.8
    2-methyl-1-pentanol 167.82
    methyl formate 139.48
    2-methyl-1-butanol 190.93
    n-decane 12.75
    butyronitrile 107.19
    3,7-dimethyl-1-octanol 109.05
    1-chlorooctane 45.9
    1-chlorotetradecane 21.91
    n-nonane 11.9
    undecane 10.55
    tert-butylcyclohexane 16.73
    cyclooctane 7.76
    cyclopentanol 211.49
    tetrahydropyran 169.79
    tert-amyl methyl ether 95.57
    2,5,8-trioxanonane 248.74
    1-hexene 41.53
    2-isopropoxyethanol 161.6
    2,2,2-trifluoroethanol 130.33
    methyl butyrate 90.97

    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