2-Hydroxypropyl heptanoate

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  • Identifiers

    CAS number
    7249-54-9

    Molecular formula
    C10H20O3

    SMILES
    CCCCCCC(=O)OCC(C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 86.26%
    Oily 52.51%
    Fatty 51.83%
    Winey 47.55%
    Green 45.05%
    Sweet 44.49%
    Waxy 40.6%
    Buttery 40.42%
    Peach 34.85%
    Tropical 34.39%

     

    Flavor
    Fruity 79.85%
    Green 52.31%
    Waxy 50.06%
    Sweet 47.69%
    Tropical 43.56%
    Pineapple 41.2%
    Oily 38.67%
    Fruit 36.1%
    Cheese 34.64%
    Berry 34.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.41 (weak base)

    Molecular weight
    188.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point

    • 118.5 ˚C est.

  • Synonyms

    • 2-Hydroxypropyl heptanoate
    • 7249-54-9
    • Propylene glycol heptanoate
    • UNII-25DEK56Z7Z
    • 25DEK56Z7Z
    • EINECS 230-658-6
    • NSC-57401
    • CAPMUL 907P
    • PROPYLENE GLYCOL 1-HEPTANOATE
    • NSC 57401
    • Heptanoic acid, 2-hydroxypropyl ester
    • PROPYLENE GLYCOL MONOHEPTANOATE
    • 1,2-PROPANEDIOL, 1-HEPTANOATE
    • RefChem:87607
    • (+-)-2-HYDROXYPROPYL HEPTANOATE
    • PROPYLENE GLYCOL HEPTANOATE [INCI]
    • 2-HYDROXYPROPYL HEPTANOATE,(+-)-
    • NSC57401
    • Heptanoic acid,2-hydroxypropyl ester
    • SCHEMBL2115586
    • DZOOROWXIIPFGA-UHFFFAOYSA-N
    • DTXSID501311639
    • (+/-)-2-HYDROXYPROPYL HEPTANOATE
    • 2-HYDROXYPROPYL HEPTANOATE,(+/-)-
    • DS-000896
    • NS00044396
    • Q27253948
    • 7249-54-9

  • Applications

    2-Hydroxypropyl heptanoate (CAS 7249-54-9) is a glycol ester used as a solvent and emollient in cosmetics and personal care; it serves as a plasticizer in polymer systems to improve softness and flexibility; it is employed as a solvent and processing aid in coatings and inks; it may function as a fragrance solvent or carrier in perfumery; it appears in cleaning formulations and household products as a solvent or formulation aid; and it can be used as an intermediate in organic synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4585.17
    methanol 7892.93
    isopropanol 3068.29
    water 2.38
    ethyl acetate 1498.26
    n-propanol 2460.4
    acetone 3742.95
    n-butanol 2037.18
    acetonitrile 1661.91
    DMF 3167.55
    toluene 272.18
    isobutanol 1636.58
    1,4-dioxane 1816.3
    methyl acetate 1153.94
    THF 2498.84
    2-butanone 1594.43
    n-pentanol 1244.58
    sec-butanol 1859.86
    n-hexane 96.65
    ethylene glycol 807.77
    NMP 1499.32
    cyclohexane 106.62
    DMSO 4766.29
    n-butyl acetate 1163.3
    n-octanol 339.9
    chloroform 1465.58
    n-propyl acetate 1002.41
    acetic acid 2929.62
    dichloromethane 1390.85
    cyclohexanone 1829.77
    propylene glycol 1094.23
    isopropyl acetate 950.59
    DMAc 1832.99
    2-ethoxyethanol 1805.8
    isopentanol 1635.63
    n-heptane 34.06
    ethyl formate 1094.74
    1,2-dichloroethane 1204.66
    n-hexanol 1022.74
    2-methoxyethanol 3270.62
    isobutyl acetate 593.73
    tetrachloromethane 199.57
    n-pentyl acetate 499.12
    transcutol 3889.34
    n-heptanol 335.31
    ethylbenzene 204.4
    MIBK 789.02
    2-propoxyethanol 1529.35
    tert-butanol 2909.65
    MTBE 1574.21
    2-butoxyethanol 749.56
    propionic acid 1407.21
    o-xylene 223.66
    formic acid 1293.6
    diethyl ether 1125.19
    m-xylene 229.36
    p-xylene 279.3
    chlorobenzene 460.87
    dimethyl carbonate 277.94
    n-octane 17.04
    formamide 1510.92
    cyclopentanone 1818.07
    2-pentanone 1394.53
    anisole 520.75
    cyclopentyl methyl ether 949.63
    gamma-butyrolactone 1785.93
    1-methoxy-2-propanol 2063.31
    pyridine 1208.57
    3-pentanone 661.21
    furfural 1507.15
    n-dodecane 14.22
    diethylene glycol 1321.38
    diisopropyl ether 270.75
    tert-amyl alcohol 2000.13
    acetylacetone 1400.94
    n-hexadecane 16.41
    acetophenone 547.9
    methyl propionate 826.91
    isopentyl acetate 1009.96
    trichloroethylene 1930.98
    n-nonanol 272.39
    cyclohexanol 1228.35
    benzyl alcohol 607.13
    2-ethylhexanol 516.47
    isooctanol 282.24
    dipropyl ether 393.05
    1,2-dichlorobenzene 436.7
    ethyl lactate 389.62
    propylene carbonate 965.67
    n-methylformamide 1728.95
    2-pentanol 1157.74
    n-pentane 63.86
    1-propoxy-2-propanol 1088.32
    1-methoxy-2-propyl acetate 835.06
    2-(2-methoxypropoxy) propanol 633.71
    mesitylene 144.52
    ε-caprolactone 1416.32
    p-cymene 132.97
    epichlorohydrin 1886.57
    1,1,1-trichloroethane 855.55
    2-aminoethanol 1622.1
    morpholine-4-carbaldehyde 1652.81
    sulfolane 2068.91
    2,2,4-trimethylpentane 47.0
    2-methyltetrahydrofuran 1722.28
    n-hexyl acetate 659.47
    isooctane 35.5
    2-(2-butoxyethoxy)ethanol 1000.73
    sec-butyl acetate 630.94
    tert-butyl acetate 914.95
    decalin 66.26
    glycerin 1147.6
    diglyme 1711.15
    acrylic acid 1102.84
    isopropyl myristate 202.77
    n-butyric acid 2276.78
    acetyl acetate 768.73
    di(2-ethylhexyl) phthalate 228.41
    ethyl propionate 657.54
    nitromethane 3198.58
    1,2-diethoxyethane 963.49
    benzonitrile 678.88
    trioctyl phosphate 170.89
    1-bromopropane 648.52
    gamma-valerolactone 2167.95
    n-decanol 188.97
    triethyl phosphate 221.21
    4-methyl-2-pentanol 546.35
    propionitrile 1093.18
    vinylene carbonate 861.3
    1,1,2-trichlorotrifluoroethane 1655.56
    DMS 456.62
    cumene 149.52
    2-octanol 239.72
    2-hexanone 954.67
    octyl acetate 270.16
    limonene 230.53
    1,2-dimethoxyethane 2407.2
    ethyl orthosilicate 229.28
    tributyl phosphate 236.68
    diacetone alcohol 1154.75
    N,N-dimethylaniline 343.17
    acrylonitrile 1272.25
    aniline 610.96
    1,3-propanediol 2032.97
    bromobenzene 431.73
    dibromomethane 945.37
    1,1,2,2-tetrachloroethane 1746.5
    2-methyl-cyclohexyl acetate 412.4
    tetrabutyl urea 281.9
    diisobutyl methanol 246.92
    2-phenylethanol 526.13
    styrene 277.99
    dioctyl adipate 344.43
    dimethyl sulfate 491.59
    ethyl butyrate 593.53
    methyl lactate 544.48
    butyl lactate 502.54
    diethyl carbonate 355.02
    propanediol butyl ether 907.92
    triethyl orthoformate 355.48
    p-tert-butyltoluene 129.26
    methyl 4-tert-butylbenzoate 400.9
    morpholine 2523.75
    tert-butylamine 1407.21
    n-dodecanol 133.08
    dimethoxymethane 1195.85
    ethylene carbonate 790.92
    cyrene 510.5
    2-ethoxyethyl acetate 678.24
    2-ethylhexyl acetate 654.9
    1,2,4-trichlorobenzene 514.79
    4-methylpyridine 1198.78
    dibutyl ether 399.04
    2,6-dimethyl-4-heptanol 246.92
    DEF 1411.17
    dimethyl isosorbide 832.15
    tetrachloroethylene 1155.0
    eugenol 448.24
    triacetin 606.77
    span 80 567.17
    1,4-butanediol 841.54
    1,1-dichloroethane 1125.64
    2-methyl-1-pentanol 1067.01
    methyl formate 1092.73
    2-methyl-1-butanol 1393.58
    n-decane 25.46
    butyronitrile 1366.91
    3,7-dimethyl-1-octanol 388.63
    1-chlorooctane 157.03
    1-chlorotetradecane 52.67
    n-nonane 25.61
    undecane 18.13
    tert-butylcyclohexane 64.14
    cyclooctane 26.39
    cyclopentanol 1296.49
    tetrahydropyran 1833.12
    tert-amyl methyl ether 871.92
    2,5,8-trioxanonane 1053.33
    1-hexene 481.6
    2-isopropoxyethanol 1139.28
    2,2,2-trifluoroethanol 643.87
    methyl butyrate 1154.93

    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