2-Hydroxypropyl valerate

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  • Identifiers

    CAS number
    59569-67-4

    Molecular formula
    C8H16O3

    SMILES
    CCCCC(=O)OCC(C)O

  • Odor profile

    Fragrance
    Fruity 93.42%
    Buttery 46.86%
    Winey 41.34%
    Caramellic 40.74%
    Sweet 38.52%
    Fatty 37.98%
    Pineapple 36.63%
    Oily 36.28%
    Cheesy 34.72%
    Ethereal 34.18%

     

    Flavor
    Fruity 81.53%
    Sweet 54.18%
    Pineapple 46.38%
    Tropical 42.53%
    Fruit 39.69%
    Berry 37.94%
    Cheese 35.94%
    Grape 33.75%
    Waxy 33.14%
    Green 33.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.68 (weak base)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    210°C

    Flash point

    • 96.76 ˚C est.

  • Synonyms

    • 2-Hydroxypropyl valerate
    • 2-hydroxypropyl pentanoate
    • 59569-67-4
    • EINECS 261-809-4
    • Pentanoic acid, 2-hydroxypropyl ester
    • AI3-07465
    • Propylene glycol monovalerate
    • SCHEMBL10403567
    • DTXSID20866761
    • NEEPKCJTYSMSQT-UHFFFAOYSA-N
    • DB-251528
    • NS00055683
    • 261-809-4

  • Applications

    2-Hydroxypropyl valerate (CAS 59569-67-4) is commonly used as an intermediate in organic synthesis and as a plasticizer for polymers, notably PVC and related materials. It is also employed as a solvent or co-solvent in coatings, paints, inks, and cleaning formulations. In cosmetics and personal care, it can function as an emollient and humectant, helping to improve texture and formulation stability. Additionally, it may serve as a processing aid and precursor in the production of other esters and specialty chemicals, with usage subject to regulatory limits and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1710.44
    methanol 2947.69
    isopropanol 1252.24
    water 16.15
    ethyl acetate 208.12
    n-propanol 970.74
    acetone 611.8
    n-butanol 812.24
    acetonitrile 316.81
    DMF 1191.51
    toluene 76.71
    isobutanol 643.9
    1,4-dioxane 709.76
    methyl acetate 254.91
    THF 747.3
    2-butanone 306.89
    n-pentanol 541.86
    sec-butanol 743.8
    n-hexane 25.62
    ethylene glycol 617.61
    NMP 515.81
    cyclohexane 35.58
    DMSO 1122.94
    n-butyl acetate 261.79
    n-octanol 199.66
    chloroform 497.12
    n-propyl acetate 170.05
    acetic acid 1283.56
    dichloromethane 388.37
    cyclohexanone 427.2
    propylene glycol 737.89
    isopropyl acetate 157.45
    DMAc 734.83
    2-ethoxyethanol 765.66
    isopentanol 594.0
    n-heptane 15.28
    ethyl formate 335.17
    1,2-dichloroethane 270.79
    n-hexanol 452.85
    2-methoxyethanol 1370.94
    isobutyl acetate 133.54
    tetrachloromethane 59.99
    n-pentyl acetate 140.45
    transcutol 1161.69
    n-heptanol 177.9
    ethylbenzene 69.44
    MIBK 176.69
    2-propoxyethanol 632.23
    tert-butanol 1192.69
    MTBE 414.0
    2-butoxyethanol 347.73
    propionic acid 534.57
    o-xylene 78.12
    formic acid 748.76
    diethyl ether 212.74
    m-xylene 71.59
    p-xylene 98.76
    chlorobenzene 137.93
    dimethyl carbonate 75.32
    n-octane 9.41
    formamide 553.37
    cyclopentanone 432.34
    2-pentanone 239.51
    anisole 184.78
    cyclopentyl methyl ether 222.16
    gamma-butyrolactone 459.57
    1-methoxy-2-propanol 811.03
    pyridine 342.95
    3-pentanone 122.42
    furfural 560.62
    n-dodecane 10.98
    diethylene glycol 682.8
    diisopropyl ether 59.41
    tert-amyl alcohol 779.21
    acetylacetone 271.83
    n-hexadecane 11.81
    acetophenone 188.83
    methyl propionate 158.64
    isopentyl acetate 261.93
    trichloroethylene 467.74
    n-nonanol 160.76
    cyclohexanol 460.34
    benzyl alcohol 273.24
    2-ethylhexanol 219.27
    isooctanol 142.55
    dipropyl ether 114.39
    1,2-dichlorobenzene 139.02
    ethyl lactate 152.77
    propylene carbonate 294.31
    n-methylformamide 622.43
    2-pentanol 423.62
    n-pentane 22.61
    1-propoxy-2-propanol 417.49
    1-methoxy-2-propyl acetate 224.71
    2-(2-methoxypropoxy) propanol 322.76
    mesitylene 50.48
    ε-caprolactone 380.75
    p-cymene 58.31
    epichlorohydrin 491.09
    1,1,1-trichloroethane 192.42
    2-aminoethanol 936.68
    morpholine-4-carbaldehyde 667.93
    sulfolane 561.92
    2,2,4-trimethylpentane 20.08
    2-methyltetrahydrofuran 452.26
    n-hexyl acetate 218.31
    isooctane 14.55
    2-(2-butoxyethoxy)ethanol 443.27
    sec-butyl acetate 118.42
    tert-butyl acetate 185.51
    decalin 25.33
    glycerin 818.25
    diglyme 685.25
    acrylic acid 480.58
    isopropyl myristate 84.39
    n-butyric acid 724.44
    acetyl acetate 157.0
    di(2-ethylhexyl) phthalate 115.64
    ethyl propionate 121.16
    nitromethane 787.2
    1,2-diethoxyethane 266.15
    benzonitrile 258.49
    trioctyl phosphate 87.69
    1-bromopropane 152.96
    gamma-valerolactone 652.35
    n-decanol 117.36
    triethyl phosphate 88.03
    4-methyl-2-pentanol 217.16
    propionitrile 290.4
    vinylene carbonate 300.53
    1,1,2-trichlorotrifluoroethane 577.29
    DMS 135.19
    cumene 58.62
    2-octanol 121.75
    2-hexanone 214.75
    octyl acetate 116.87
    limonene 88.59
    1,2-dimethoxyethane 877.76
    ethyl orthosilicate 88.45
    tributyl phosphate 101.27
    diacetone alcohol 358.84
    N,N-dimethylaniline 145.81
    acrylonitrile 366.62
    aniline 207.25
    1,3-propanediol 1069.66
    bromobenzene 112.27
    dibromomethane 254.57
    1,1,2,2-tetrachloroethane 452.0
    2-methyl-cyclohexyl acetate 146.6
    tetrabutyl urea 136.34
    diisobutyl methanol 116.57
    2-phenylethanol 234.06
    styrene 95.43
    dioctyl adipate 142.27
    dimethyl sulfate 143.91
    ethyl butyrate 152.85
    methyl lactate 206.31
    butyl lactate 168.17
    diethyl carbonate 112.34
    propanediol butyl ether 434.26
    triethyl orthoformate 119.5
    p-tert-butyltoluene 57.48
    methyl 4-tert-butylbenzoate 182.12
    morpholine 897.19
    tert-butylamine 598.91
    n-dodecanol 89.12
    dimethoxymethane 374.81
    ethylene carbonate 248.76
    cyrene 252.6
    2-ethoxyethyl acetate 190.62
    2-ethylhexyl acetate 174.61
    1,2,4-trichlorobenzene 174.84
    4-methylpyridine 356.91
    dibutyl ether 129.37
    2,6-dimethyl-4-heptanol 116.57
    DEF 331.35
    dimethyl isosorbide 359.15
    tetrachloroethylene 306.77
    eugenol 224.82
    triacetin 202.41
    span 80 292.38
    1,4-butanediol 505.94
    1,1-dichloroethane 250.14
    2-methyl-1-pentanol 439.22
    methyl formate 401.6
    2-methyl-1-butanol 530.01
    n-decane 16.09
    butyronitrile 372.0
    3,7-dimethyl-1-octanol 192.12
    1-chlorooctane 70.45
    1-chlorotetradecane 30.93
    n-nonane 15.19
    undecane 12.73
    tert-butylcyclohexane 26.01
    cyclooctane 10.45
    cyclopentanol 517.17
    tetrahydropyran 493.11
    tert-amyl methyl ether 254.08
    2,5,8-trioxanonane 512.62
    1-hexene 117.24
    2-isopropoxyethanol 431.69
    2,2,2-trifluoroethanol 300.48
    methyl butyrate 231.09

    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