Propylene glycol 1-caprylate

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  • Identifiers

    CAS number
    23794-30-1

    Molecular formula
    C11H22O3

    SMILES
    CCCCCCCC(=O)OCC(C)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 78.22%
    Fatty 57.77%
    Oily 55.18%
    Winey 44.22%
    Buttery 43.22%
    Waxy 43.13%
    Sweet 42.43%
    Peach 39.58%
    Creamy 37.85%
    Lactonic 34.25%

     

    Flavor
    Fruity 75.59%
    Waxy 57.9%
    Green 56.5%
    Sweet 45.23%
    Oily 43.79%
    Tropical 41.77%
    Creamy 34.88%
    Pineapple 34.73%
    Fatty 33.97%
    Wine 33.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.45 (weak base)

    Molecular weight
    202.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    260°C

    Flash point

    • 126.36 ˚C est.

  • Synonyms

    • 2-hydroxypropyl octanoate
    • Propylene glycol 1-caprylate
    • Octanoic acid, 2-hydroxypropyl ester
    • UNII-TL885HYH94
    • TL885HYH94
    • DTXSID90881007
    • 1,2-PROPANEDIOL 1-OCTANOATE
    • RefChem:202752
    • DTXCID8015794
    • PROPYLENE GLYCOL CAPRYLATE
    • 23794-30-1
    • Propylene glycol octanoate
    • 68332-79-6
    • Capryol 90
    • Sefsol 218
    • UNII-RT9P9S09QI
    • Propylene glycol monooctanoate
    • Octanoic acid, ester with 1,2-propanediol
    • 1,2-Propanediol, monooctanoate
    • Propylene glycol monocaprylate [NF]
    • Octanoic acid, 1,2-propyleneglycol ester
    • UNII-QJL3I5WV4F
    • QJL3I5WV4F
    • RT9P9S09QI
    • SCHEMBL16458
    • SCHEMBL18797215
    • CHEBI:230749
    • GHHURQMJLARIDK-UHFFFAOYSA-N
    • Propylene glycol mono and dicaprylate
    • Q27290011
    • 68332-79-6

  • Applications

    Propylene glycol 1-caprylate (CAS 23794-30-1) is the monoester of propylene glycol and caprylic acid and is used primarily as an emollient and solvent in cosmetic and personal care formulations. In perfumery it serves as a fragrance solvent and may function as a fixative in fragrance compositions. It may also act as a processing solvent or aid in household products such as cleaners and detergents. In industrial manufacturing it can serve as a solvent or component in polymer or resin formulations and is sometimes used as a plasticizer or coupling agent. In pharmaceutical contexts it may be used as an excipient or solvent in topical dosage forms. Overall, the main use areas include cosmetics/personal care, perfumery/fragrance, household products, coatings/inks, polymers/plastics, and pharmaceuticals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3817.23
    methanol 6124.15
    isopropanol 2577.76
    water 0.64
    ethyl acetate 1526.03
    n-propanol 2080.99
    acetone 2993.4
    n-butanol 1696.36
    acetonitrile 1408.29
    DMF 1952.17
    toluene 267.41
    isobutanol 1396.26
    1,4-dioxane 1702.36
    methyl acetate 1034.69
    THF 2303.86
    2-butanone 1397.09
    n-pentanol 1164.02
    sec-butanol 1593.07
    n-hexane 100.94
    ethylene glycol 432.27
    NMP 992.3
    cyclohexane 116.22
    DMSO 3426.41
    n-butyl acetate 1123.94
    n-octanol 317.4
    chloroform 1356.74
    n-propyl acetate 1010.97
    acetic acid 1884.08
    dichloromethane 1377.71
    cyclohexanone 1653.78
    propylene glycol 744.11
    isopropyl acetate 996.32
    DMAc 1276.71
    2-ethoxyethanol 1596.71
    isopentanol 1423.0
    n-heptane 36.61
    ethyl formate 906.53
    1,2-dichloroethane 1123.18
    n-hexanol 938.72
    2-methoxyethanol 2559.19
    isobutyl acetate 611.24
    tetrachloromethane 184.42
    n-pentyl acetate 506.87
    transcutol 3341.85
    n-heptanol 318.11
    ethylbenzene 197.76
    MIBK 765.45
    2-propoxyethanol 1355.26
    tert-butanol 2571.04
    MTBE 1505.63
    2-butoxyethanol 686.44
    propionic acid 1033.65
    o-xylene 215.19
    formic acid 673.5
    diethyl ether 1228.0
    m-xylene 219.9
    p-xylene 265.53
    chlorobenzene 412.64
    dimethyl carbonate 212.69
    n-octane 19.42
    formamide 824.39
    cyclopentanone 1473.04
    2-pentanone 1283.68
    anisole 464.43
    cyclopentyl methyl ether 916.12
    gamma-butyrolactone 1441.07
    1-methoxy-2-propanol 1733.86
    pyridine 1010.11
    3-pentanone 601.26
    furfural 1178.59
    n-dodecane 15.47
    diethylene glycol 1043.26
    diisopropyl ether 282.93
    tert-amyl alcohol 1768.63
    acetylacetone 1231.34
    n-hexadecane 17.98
    acetophenone 477.14
    methyl propionate 733.8
    isopentyl acetate 981.89
    trichloroethylene 1674.37
    n-nonanol 257.87
    cyclohexanol 1098.11
    benzyl alcohol 503.84
    2-ethylhexanol 495.53
    isooctanol 272.01
    dipropyl ether 421.81
    1,2-dichlorobenzene 387.83
    ethyl lactate 345.78
    propylene carbonate 821.08
    n-methylformamide 1066.65
    2-pentanol 1054.99
    n-pentane 61.18
    1-propoxy-2-propanol 985.5
    1-methoxy-2-propyl acetate 775.55
    2-(2-methoxypropoxy) propanol 566.5
    mesitylene 144.63
    ε-caprolactone 1279.1
    p-cymene 128.69
    epichlorohydrin 1671.23
    1,1,1-trichloroethane 819.23
    2-aminoethanol 1094.35
    morpholine-4-carbaldehyde 1261.7
    sulfolane 1554.81
    2,2,4-trimethylpentane 46.38
    2-methyltetrahydrofuran 1608.98
    n-hexyl acetate 633.56
    isooctane 36.09
    2-(2-butoxyethoxy)ethanol 884.83
    sec-butyl acetate 657.93
    tert-butyl acetate 915.15
    decalin 68.73
    glycerin 730.56
    diglyme 1530.98
    acrylic acid 701.68
    isopropyl myristate 201.06
    n-butyric acid 1861.14
    acetyl acetate 715.71
    di(2-ethylhexyl) phthalate 209.22
    ethyl propionate 664.73
    nitromethane 2214.23
    1,2-diethoxyethane 955.42
    benzonitrile 583.24
    trioctyl phosphate 156.56
    1-bromopropane 673.52
    gamma-valerolactone 1847.74
    n-decanol 176.48
    triethyl phosphate 214.62
    4-methyl-2-pentanol 516.42
    propionitrile 939.93
    vinylene carbonate 684.71
    1,1,2-trichlorotrifluoroethane 1260.38
    DMS 399.84
    cumene 144.71
    2-octanol 237.01
    2-hexanone 927.13
    octyl acetate 258.61
    limonene 224.06
    1,2-dimethoxyethane 2196.78
    ethyl orthosilicate 222.69
    tributyl phosphate 217.31
    diacetone alcohol 1015.02
    N,N-dimethylaniline 299.6
    acrylonitrile 997.65
    aniline 499.49
    1,3-propanediol 1480.92
    bromobenzene 409.47
    dibromomethane 939.0
    1,1,2,2-tetrachloroethane 1527.0
    2-methyl-cyclohexyl acetate 400.47
    tetrabutyl urea 253.4
    diisobutyl methanol 242.11
    2-phenylethanol 455.88
    styrene 263.56
    dioctyl adipate 323.9
    dimethyl sulfate 351.3
    ethyl butyrate 603.68
    methyl lactate 414.88
    butyl lactate 453.01
    diethyl carbonate 347.83
    propanediol butyl ether 748.01
    triethyl orthoformate 359.35
    p-tert-butyltoluene 124.78
    methyl 4-tert-butylbenzoate 360.51
    morpholine 2359.08
    tert-butylamine 1240.07
    n-dodecanol 125.86
    dimethoxymethane 1007.09
    ethylene carbonate 669.35
    cyrene 442.27
    2-ethoxyethyl acetate 643.21
    2-ethylhexyl acetate 647.62
    1,2,4-trichlorobenzene 441.79
    4-methylpyridine 999.53
    dibutyl ether 427.25
    2,6-dimethyl-4-heptanol 242.11
    DEF 1154.98
    dimethyl isosorbide 759.42
    tetrachloroethylene 990.47
    eugenol 395.65
    triacetin 557.34
    span 80 508.8
    1,4-butanediol 654.74
    1,1-dichloroethane 1054.68
    2-methyl-1-pentanol 983.95
    methyl formate 683.45
    2-methyl-1-butanol 1160.76
    n-decane 28.83
    butyronitrile 1245.39
    3,7-dimethyl-1-octanol 354.9
    1-chlorooctane 163.95
    1-chlorotetradecane 55.36
    n-nonane 29.14
    undecane 19.86
    tert-butylcyclohexane 67.18
    cyclooctane 29.2
    cyclopentanol 1111.69
    tetrahydropyran 1823.64
    tert-amyl methyl ether 834.04
    2,5,8-trioxanonane 950.23
    1-hexene 510.94
    2-isopropoxyethanol 1051.87
    2,2,2-trifluoroethanol 387.12
    methyl butyrate 1120.26

    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