Propanoic acid, 2-hydroxy-, 1-methylpropyl ester

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  • Identifiers

    CAS number
    18449-60-0

    Molecular formula
    C7H14O3

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

  • Odor profile

    Fruity 92.79%
    Caramellic 68.86%
    Buttery 62.77%
    Sweet 54.78%
    Winey 45.41%
    Creamy 43.63%
    Milky 41.33%
    Dairy 36.06%
    Ethereal 32.36%
    Rummy 29.3%

    Scent© AI

  • Properties

    XLogP3-AA
    1.2

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    174°C

    Flash point est.
    74.55 ˚C

  • Synonyms

    • butan-2-yl 2-hydroxypropanoate
    • 18449-60-0
    • Propanoic acid, 2-hydroxy-, 1-methylpropyl ester
    • 2-butyl lactate
    • sec-butyl lactate
    • DTXSID10864837
    • 2-Butyl 2-hydroxypropionate
    • D,L-sec-Butyl D,L-lactate
    • EINECS 242-334-1
    • AI3-33998
    • SCHEMBL702238
    • DTXCID60813310
    • DGHQMSLDUXOQEO-UHFFFAOYSA-N
    • NS00051771

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 577.59
    methanol 871.14
    isopropanol 476.55
    water 13.53
    ethyl acetate 107.19
    n-propanol 411.77
    acetone 273.11
    n-butanol 331.06
    acetonitrile 189.09
    DMF 531.29
    toluene 55.15
    isobutanol 302.56
    1,4-dioxane 451.47
    methyl acetate 161.35
    THF 378.0
    2-butanone 201.68
    n-pentanol 290.96
    sec-butanol 409.53
    n-hexane 21.12
    ethylene glycol 260.29
    NMP 415.56
    cyclohexane 34.34
    DMSO 631.19
    n-butyl acetate 169.41
    n-octanol 172.84
    chloroform 405.43
    n-propyl acetate 101.25
    acetic acid 416.1
    dichloromethane 445.48
    cyclohexanone 300.32
    propylene glycol 300.36
    isopropyl acetate 77.1
    DMAc 422.26
    2-ethoxyethanol 388.58
    isopentanol 266.43
    n-heptane 19.37
    ethyl formate 188.62
    1,2-dichloroethane 239.03
    n-hexanol 264.4
    2-methoxyethanol 569.61
    isobutyl acetate 73.65
    tetrachloromethane 60.19
    n-pentyl acetate 123.01
    transcutol 506.51
    n-heptanol 154.76
    ethylbenzene 65.89
    MIBK 101.49
    2-propoxyethanol 341.11
    tert-butanol 509.29
    MTBE 238.62
    2-butoxyethanol 225.49
    propionic acid 259.42
    o-xylene 80.47
    formic acid 248.83
    diethyl ether 123.54
    m-xylene 58.62
    p-xylene 94.54
    chlorobenzene 114.45
    dimethyl carbonate 47.63
    n-octane 14.02
    formamide 230.35
    cyclopentanone 307.69
    2-pentanone 132.83
    anisole 141.73
    cyclopentyl methyl ether 140.2
    gamma-butyrolactone 341.43
    1-methoxy-2-propanol 355.44
    pyridine 209.09
    3-pentanone 95.21
    furfural 402.92
    n-dodecane 16.64
    diethylene glycol 320.08
    diisopropyl ether 43.18
    tert-amyl alcohol 414.97
    acetylacetone 149.65
    n-hexadecane 17.9
    acetophenone 153.49
    methyl propionate 103.35
    isopentyl acetate 166.66
    trichloroethylene 392.11
    n-nonanol 141.48
    cyclohexanol 269.58
    benzyl alcohol 179.91
    2-ethylhexanol 165.39
    isooctanol 124.77
    dipropyl ether 85.65
    1,2-dichlorobenzene 129.14
    ethyl lactate 99.34
    propylene carbonate 212.28
    n-methylformamide 279.67
    2-pentanol 210.47
    n-pentane 22.26
    1-propoxy-2-propanol 239.36
    1-methoxy-2-propyl acetate 135.3
    2-(2-methoxypropoxy) propanol 213.17
    mesitylene 48.32
    ε-caprolactone 261.17
    p-cymene 67.51
    epichlorohydrin 356.26
    1,1,1-trichloroethane 169.23
    2-aminoethanol 371.31
    morpholine-4-carbaldehyde 417.39
    sulfolane 503.73
    2,2,4-trimethylpentane 24.8
    2-methyltetrahydrofuran 288.49
    n-hexyl acetate 186.53
    isooctane 15.73
    2-(2-butoxyethoxy)ethanol 262.17
    sec-butyl acetate 68.35
    tert-butyl acetate 103.74
    decalin 26.82
    glycerin 352.17
    diglyme 403.73
    acrylic acid 245.07
    isopropyl myristate 76.98
    n-butyric acid 276.13
    acetyl acetate 79.68
    di(2-ethylhexyl) phthalate 100.18
    ethyl propionate 78.04
    nitromethane 376.42
    1,2-diethoxyethane 166.96
    benzonitrile 191.57
    trioctyl phosphate 80.99
    1-bromopropane 139.75
    gamma-valerolactone 423.05
    n-decanol 109.49
    triethyl phosphate 74.13
    4-methyl-2-pentanol 122.3
    propionitrile 163.39
    vinylene carbonate 219.76
    1,1,2-trichlorotrifluoroethane 338.17
    DMS 106.77
    cumene 63.44
    2-octanol 121.27
    2-hexanone 136.59
    octyl acetate 107.33
    limonene 98.91
    1,2-dimethoxyethane 469.23
    ethyl orthosilicate 68.37
    tributyl phosphate 85.84
    diacetone alcohol 189.31
    N,N-dimethylaniline 123.26
    acrylonitrile 215.16
    aniline 119.44
    1,3-propanediol 399.14
    bromobenzene 103.34
    dibromomethane 268.0
    1,1,2,2-tetrachloroethane 361.93
    2-methyl-cyclohexyl acetate 124.37
    tetrabutyl urea 111.73
    diisobutyl methanol 89.66
    2-phenylethanol 166.25
    styrene 72.94
    dioctyl adipate 120.48
    dimethyl sulfate 105.08
    ethyl butyrate 106.12
    methyl lactate 114.26
    butyl lactate 129.35
    diethyl carbonate 80.02
    propanediol butyl ether 254.41
    triethyl orthoformate 85.75
    p-tert-butyltoluene 65.07
    methyl 4-tert-butylbenzoate 166.98
    morpholine 453.32
    tert-butylamine 304.93
    n-dodecanol 86.95
    dimethoxymethane 203.33
    ethylene carbonate 170.32
    cyrene 192.06
    2-ethoxyethyl acetate 140.7
    2-ethylhexyl acetate 123.87
    1,2,4-trichlorobenzene 162.54
    4-methylpyridine 214.25
    dibutyl ether 103.52
    2,6-dimethyl-4-heptanol 89.66
    DEF 207.01
    dimethyl isosorbide 261.97
    tetrachloroethylene 234.49
    eugenol 175.81
    triacetin 158.81
    span 80 204.01
    1,4-butanediol 243.72
    1,1-dichloroethane 213.64
    2-methyl-1-pentanol 260.11
    methyl formate 225.2
    2-methyl-1-butanol 273.49
    n-decane 22.81
    butyronitrile 186.19
    3,7-dimethyl-1-octanol 154.45
    1-chlorooctane 81.62
    1-chlorotetradecane 40.3
    n-nonane 21.6
    undecane 19.07
    tert-butylcyclohexane 29.06
    cyclooctane 12.82
    cyclopentanol 319.2
    tetrahydropyran 279.81
    tert-amyl methyl ether 178.23
    2,5,8-trioxanonane 316.21
    1-hexene 75.66
    2-isopropoxyethanol 238.92
    2,2,2-trifluoroethanol 125.91
    methyl butyrate 141.65

    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