Hexyl DL-lactate

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  • Identifiers

    CAS number
    20279-51-0

    Molecular formula
    C9H18O3

    SMILES
    CCCCCCOC(=O)C(C)O

  • Odor profile

    Fragrance
    Fruity 86.99%
    Green 83.99%
    Sweet 72.18%
    Waxy 56.7%
    Oily 53.37%
    Winey 51.89%
    Floral 48.44%
    Fresh 48.44%
    Fatty 46.7%
    Caramellic 42.92%

     

    Flavor
    Fruity 81.44%
    Waxy 64.67%
    Green 55.92%
    Sweet 50.94%
    Creamy 42.27%
    Oily 41.59%
    Tropical 39.93%
    Apple 34.82%
    Fruit 34.52%
    Berry 33.81%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.09 (weak base)

    Molecular weight
    174.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    224°C

    Flash point

    • 97.76 ˚C est.

  • Synonyms

    • Hexyl lactate
    • hexyl 2-hydroxypropanoate
    • 20279-51-0
    • Propanoic acid, 2-hydroxy-, hexyl ester
    • Hexyl DL-lactate
    • U5BDB081FM
    • EINECS 243-676-4
    • AI3-00590
    • LACTIC ACID, HEXYL ESTER
    • ETHANOL, 2-BUTOXY-, LACTATE
    • Milchsaure-n-hexyl-ester
    • UNII-U5BDB081FM
    • SCHEMBL505594
    • KDPXOGYCOOUWOS-UHFFFAOYSA-
    • DTXSID90864931
    • AKOS006272819
    • DB-254927
    • NS00051257
    • Q27894346
    • InChI=1/C9H18O3/c1-3-4-5-6-7-12-9(11)8(2)10/h8,10H,3-7H2,1-2H3
    • 243-676-4

  • Applications

    Hexyl DL-lactate, CAS 20279-51-0, is used as a solvent and plasticizer in coatings and inks and in adhesives; in cosmetics and personal care it acts as a solvent and mild emollient; it also serves as a plasticizer for certain polymers and plastics; in cleaning formulations and household products it functions as a solvent and dispersant; and in fragrance applications it serves as a fragrance solvent or carrier for aroma compounds, with potential as an intermediate in ester synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4206.9
    methanol 7800.44
    isopropanol 2734.95
    water 2.39
    ethyl acetate 2666.03
    n-propanol 2630.21
    acetone 4266.07
    n-butanol 2195.75
    acetonitrile 1903.4
    DMF 3232.29
    toluene 296.94
    isobutanol 1921.26
    1,4-dioxane 2419.91
    methyl acetate 1734.88
    THF 2702.13
    2-butanone 1982.71
    n-pentanol 1447.93
    sec-butanol 2048.54
    n-hexane 116.61
    ethylene glycol 812.04
    NMP 2024.0
    cyclohexane 167.57
    DMSO 5705.4
    n-butyl acetate 1741.98
    n-octanol 440.41
    chloroform 1775.45
    n-propyl acetate 1480.3
    acetic acid 4089.05
    dichloromethane 1941.03
    cyclohexanone 2402.66
    propylene glycol 943.76
    isopropyl acetate 1490.72
    DMAc 1812.35
    2-ethoxyethanol 2283.17
    isopentanol 1968.65
    n-heptane 50.65
    ethyl formate 1521.57
    1,2-dichloroethane 1818.43
    n-hexanol 1243.56
    2-methoxyethanol 4078.7
    isobutyl acetate 792.35
    tetrachloromethane 262.99
    n-pentyl acetate 799.87
    transcutol 5466.91
    n-heptanol 481.63
    ethylbenzene 240.14
    MIBK 1084.35
    2-propoxyethanol 1894.4
    tert-butanol 3580.68
    MTBE 2314.18
    2-butoxyethanol 966.26
    propionic acid 1918.59
    o-xylene 273.84
    formic acid 1748.89
    diethyl ether 1670.74
    m-xylene 274.06
    p-xylene 313.88
    chlorobenzene 607.96
    dimethyl carbonate 382.07
    n-octane 29.87
    formamide 2299.6
    cyclopentanone 2467.75
    2-pentanone 1911.62
    anisole 592.17
    cyclopentyl methyl ether 1358.72
    gamma-butyrolactone 2743.58
    1-methoxy-2-propanol 2460.31
    pyridine 1329.87
    3-pentanone 989.1
    furfural 1932.89
    n-dodecane 23.29
    diethylene glycol 1599.12
    diisopropyl ether 460.45
    tert-amyl alcohol 2744.5
    acetylacetone 2082.85
    n-hexadecane 26.62
    acetophenone 641.16
    methyl propionate 1412.9
    isopentyl acetate 1436.22
    trichloroethylene 2832.37
    n-nonanol 355.84
    cyclohexanol 1584.62
    benzyl alcohol 632.54
    2-ethylhexanol 657.19
    isooctanol 414.66
    dipropyl ether 523.49
    1,2-dichlorobenzene 600.53
    ethyl lactate 470.8
    propylene carbonate 1376.28
    n-methylformamide 2198.04
    2-pentanol 1513.55
    n-pentane 91.68
    1-propoxy-2-propanol 1421.26
    1-methoxy-2-propyl acetate 1289.83
    2-(2-methoxypropoxy) propanol 735.3
    mesitylene 201.84
    ε-caprolactone 2048.91
    p-cymene 180.35
    epichlorohydrin 2712.79
    1,1,1-trichloroethane 1180.55
    2-aminoethanol 1658.11
    morpholine-4-carbaldehyde 2020.77
    sulfolane 2915.48
    2,2,4-trimethylpentane 77.82
    2-methyltetrahydrofuran 2064.82
    n-hexyl acetate 961.34
    isooctane 60.45
    2-(2-butoxyethoxy)ethanol 1224.47
    sec-butyl acetate 920.05
    tert-butyl acetate 1432.26
    decalin 95.69
    glycerin 1180.74
    diglyme 2175.73
    acrylic acid 1442.09
    isopropyl myristate 274.32
    n-butyric acid 3123.37
    acetyl acetate 1242.6
    di(2-ethylhexyl) phthalate 284.34
    ethyl propionate 984.8
    nitromethane 4923.38
    1,2-diethoxyethane 1483.56
    benzonitrile 770.0
    trioctyl phosphate 218.76
    1-bromopropane 851.93
    gamma-valerolactone 2933.76
    n-decanol 240.39
    triethyl phosphate 295.04
    4-methyl-2-pentanol 709.29
    propionitrile 1252.55
    vinylene carbonate 1150.65
    1,1,2-trichlorotrifluoroethane 2054.9
    DMS 648.9
    cumene 184.12
    2-octanol 346.61
    2-hexanone 1222.39
    octyl acetate 375.22
    limonene 333.68
    1,2-dimethoxyethane 2788.73
    ethyl orthosilicate 307.71
    tributyl phosphate 309.21
    diacetone alcohol 1609.68
    N,N-dimethylaniline 410.56
    acrylonitrile 1593.86
    aniline 681.89
    1,3-propanediol 2320.47
    bromobenzene 570.01
    dibromomethane 1271.24
    1,1,2,2-tetrachloroethane 2506.15
    2-methyl-cyclohexyl acetate 554.5
    tetrabutyl urea 361.73
    diisobutyl methanol 359.19
    2-phenylethanol 607.77
    styrene 307.7
    dioctyl adipate 437.24
    dimethyl sulfate 661.92
    ethyl butyrate 898.0
    methyl lactate 650.92
    butyl lactate 691.65
    diethyl carbonate 508.53
    propanediol butyl ether 1043.23
    triethyl orthoformate 519.59
    p-tert-butyltoluene 179.31
    methyl 4-tert-butylbenzoate 522.58
    morpholine 3092.29
    tert-butylamine 1862.75
    n-dodecanol 172.56
    dimethoxymethane 1581.95
    ethylene carbonate 1044.49
    cyrene 618.98
    2-ethoxyethyl acetate 1037.66
    2-ethylhexyl acetate 965.65
    1,2,4-trichlorobenzene 659.19
    4-methylpyridine 1370.69
    dibutyl ether 527.19
    2,6-dimethyl-4-heptanol 359.19
    DEF 1952.65
    dimethyl isosorbide 1126.27
    tetrachloroethylene 1726.65
    eugenol 556.09
    triacetin 740.5
    span 80 697.08
    1,4-butanediol 913.56
    1,1-dichloroethane 1568.59
    2-methyl-1-pentanol 1294.98
    methyl formate 1461.67
    2-methyl-1-butanol 1723.82
    n-decane 40.09
    butyronitrile 1549.18
    3,7-dimethyl-1-octanol 481.2
    1-chlorooctane 235.64
    1-chlorotetradecane 80.64
    n-nonane 41.69
    undecane 29.19
    tert-butylcyclohexane 91.88
    cyclooctane 46.61
    cyclopentanol 1540.21
    tetrahydropyran 2195.32
    tert-amyl methyl ether 1347.99
    2,5,8-trioxanonane 1270.75
    1-hexene 516.16
    2-isopropoxyethanol 1401.26
    2,2,2-trifluoroethanol 924.88
    methyl butyrate 1660.11

    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