Propylene glycol monohexanoate

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  • Identifiers

    CAS number
    170678-49-6

    Molecular formula
    C9H18O3

    SMILES
    CCCCCC(=O)OC(C)CO

  • Odor profile

    Fragrance
    Fruity 93.91%
    Green 63.06%
    Winey 46.33%
    Pineapple 45.97%
    Sweet 44.32%
    Fatty 43.11%
    Tropical 42.16%
    Cheesy 41.72%
    Oily 41.28%
    Waxy 37.91%

     

    Flavor
    Fruity 81.35%
    Pineapple 46.86%
    Sweet 45.6%
    Tropical 40.97%
    Cheese 37.44%
    Fruit 36.16%
    Berry 36.09%
    Green 35.65%
    Waxy 33.19%
    Grape 31.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.55 (weak base)

    Molecular weight
    174.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    232°C

    Flash point

    • 106.82 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Propylene glycol 2-hexanoate
    • PROPYLENE GLYCOL MONOHEXANOATE
    • 2-Propylene glycol hexanoate
    • RAO0U0NYIM
    • Propylene glycol hexanoate
    • (2-Hydroxy-1-methyl-ethyl) hexanoate
    • FEMA No. 4469
    • FEMA No. 4469, 2-hydroxy-1-methylethyl-
    • Hexanoic acid, 2-hydroxy-1-methylethyl ester
    • (+/-)-(2-Hydroxy-1-methyl-ethyl) hexanoate
    • (2-Hydroxy-1-methyl-ethyl) hexanoate, (+/-)-
    • 39RQR15921
    • 170678-49-6
    • 2-Hydroxy-sec-butyl hexanoate
    • UNII-39RQR15921
    • UNII-RAO0U0NYIM
    • SCHEMBL1246202
    • 2-HYDROXY-1-METHYLETHYL HEXANOATE
    • Q27256926

  • Applications

    Propylene glycol monohexanoate (CAS 170678-49-6) is an ester of propylene glycol and hexanoic acid. In practical formulations it is used as a solvent and plasticizer in polymers, coatings, and inks; in cosmetics and personal care, it functions as a solvent for fragrance oils and active ingredients and can act as a fragrance fixative; in perfumery, it serves as a solvent for aroma compounds and may help stabilize fragrance profiles; in cleaning formulations, it serves as a solvent and carrier for surfactants and actives in household and industrial cleaners; in pharmaceuticals, it can be used as an excipient/solvent for topical formulations; and as an intermediate in chemical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4285.09
    methanol 7471.43
    isopropanol 2866.86
    water 6.96
    ethyl acetate 1213.44
    n-propanol 2434.54
    acetone 2493.75
    n-butanol 2037.62
    acetonitrile 1417.6
    DMF 2564.0
    toluene 176.92
    isobutanol 1645.34
    1,4-dioxane 1907.56
    methyl acetate 875.05
    THF 2194.18
    2-butanone 1036.07
    n-pentanol 1191.71
    sec-butanol 1678.68
    n-hexane 60.03
    ethylene glycol 862.5
    NMP 1441.45
    cyclohexane 94.08
    DMSO 3248.51
    n-butyl acetate 870.2
    n-octanol 311.49
    chloroform 1431.53
    n-propyl acetate 628.12
    acetic acid 3520.17
    dichloromethane 1348.72
    cyclohexanone 1448.81
    propylene glycol 983.38
    isopropyl acetate 722.87
    DMAc 1381.08
    2-ethoxyethanol 1494.74
    isopentanol 1420.6
    n-heptane 27.66
    ethyl formate 956.4
    1,2-dichloroethane 998.83
    n-hexanol 910.8
    2-methoxyethanol 2919.17
    isobutyl acetate 404.91
    tetrachloromethane 163.17
    n-pentyl acetate 397.9
    transcutol 2942.76
    n-heptanol 292.08
    ethylbenzene 129.31
    MIBK 537.64
    2-propoxyethanol 1331.69
    tert-butanol 2703.29
    MTBE 1189.53
    2-butoxyethanol 604.44
    propionic acid 1340.47
    o-xylene 158.78
    formic acid 1498.94
    diethyl ether 948.14
    m-xylene 162.62
    p-xylene 191.72
    chlorobenzene 391.5
    dimethyl carbonate 208.21
    n-octane 14.94
    formamide 1410.91
    cyclopentanone 1409.45
    2-pentanone 975.25
    anisole 358.8
    cyclopentyl methyl ether 761.04
    gamma-butyrolactone 1609.93
    1-methoxy-2-propanol 1616.0
    pyridine 939.81
    3-pentanone 462.26
    furfural 1275.49
    n-dodecane 14.56
    diethylene glycol 1230.86
    diisopropyl ether 203.43
    tert-amyl alcohol 1699.3
    acetylacetone 1001.93
    n-hexadecane 16.31
    acetophenone 383.76
    methyl propionate 628.28
    isopentyl acetate 714.83
    trichloroethylene 1615.2
    n-nonanol 246.86
    cyclohexanol 1216.76
    benzyl alcohol 477.26
    2-ethylhexanol 406.19
    isooctanol 234.2
    dipropyl ether 302.3
    1,2-dichlorobenzene 358.95
    ethyl lactate 275.54
    propylene carbonate 855.63
    n-methylformamide 1485.45
    2-pentanol 1085.9
    n-pentane 53.01
    1-propoxy-2-propanol 858.71
    1-methoxy-2-propyl acetate 611.51
    2-(2-methoxypropoxy) propanol 485.6
    mesitylene 111.71
    ε-caprolactone 1244.69
    p-cymene 101.06
    epichlorohydrin 1616.04
    1,1,1-trichloroethane 673.93
    2-aminoethanol 1555.25
    morpholine-4-carbaldehyde 1488.61
    sulfolane 1772.68
    2,2,4-trimethylpentane 39.4
    2-methyltetrahydrofuran 1446.02
    n-hexyl acetate 533.28
    isooctane 29.29
    2-(2-butoxyethoxy)ethanol 760.2
    sec-butyl acetate 406.56
    tert-butyl acetate 666.43
    decalin 50.26
    glycerin 1107.56
    diglyme 1291.85
    acrylic acid 1076.6
    isopropyl myristate 167.22
    n-butyric acid 2220.82
    acetyl acetate 664.68
    di(2-ethylhexyl) phthalate 194.39
    ethyl propionate 430.54
    nitromethane 2850.36
    1,2-diethoxyethane 765.95
    benzonitrile 550.55
    trioctyl phosphate 148.34
    1-bromopropane 524.87
    gamma-valerolactone 1887.87
    n-decanol 169.26
    triethyl phosphate 174.36
    4-methyl-2-pentanol 448.58
    propionitrile 887.93
    vinylene carbonate 752.82
    1,1,2-trichlorotrifluoroethane 1300.39
    DMS 341.1
    cumene 102.12
    2-octanol 206.68
    2-hexanone 601.15
    octyl acetate 229.82
    limonene 176.16
    1,2-dimethoxyethane 1896.95
    ethyl orthosilicate 181.68
    tributyl phosphate 193.43
    diacetone alcohol 807.57
    N,N-dimethylaniline 242.17
    acrylonitrile 1030.03
    aniline 466.83
    1,3-propanediol 2020.86
    bromobenzene 355.62
    dibromomethane 872.94
    1,1,2,2-tetrachloroethane 1410.25
    2-methyl-cyclohexyl acetate 316.78
    tetrabutyl urea 234.02
    diisobutyl methanol 198.94
    2-phenylethanol 412.03
    styrene 178.66
    dioctyl adipate 276.05
    dimethyl sulfate 362.22
    ethyl butyrate 435.44
    methyl lactate 421.21
    butyl lactate 368.91
    diethyl carbonate 271.17
    propanediol butyl ether 668.61
    triethyl orthoformate 286.46
    p-tert-butyltoluene 98.23
    methyl 4-tert-butylbenzoate 315.92
    morpholine 2441.52
    tert-butylamine 1271.2
    n-dodecanol 123.08
    dimethoxymethane 942.3
    ethylene carbonate 712.4
    cyrene 427.2
    2-ethoxyethyl acetate 516.58
    2-ethylhexyl acetate 460.48
    1,2,4-trichlorobenzene 408.76
    4-methylpyridine 906.51
    dibutyl ether 300.16
    2,6-dimethyl-4-heptanol 198.94
    DEF 1078.91
    dimethyl isosorbide 693.5
    tetrachloroethylene 973.24
    eugenol 356.88
    triacetin 444.47
    span 80 457.76
    1,4-butanediol 810.72
    1,1-dichloroethane 936.61
    2-methyl-1-pentanol 886.22
    methyl formate 938.87
    2-methyl-1-butanol 1239.29
    n-decane 24.68
    butyronitrile 1218.93
    3,7-dimethyl-1-octanol 302.48
    1-chlorooctane 136.16
    1-chlorotetradecane 48.54
    n-nonane 23.71
    undecane 17.76
    tert-butylcyclohexane 47.18
    cyclooctane 21.88
    cyclopentanol 1309.73
    tetrahydropyran 1677.86
    tert-amyl methyl ether 643.04
    2,5,8-trioxanonane 839.54
    1-hexene 309.94
    2-isopropoxyethanol 862.94
    2,2,2-trifluoroethanol 700.22
    methyl butyrate 769.34

    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