Propylene glycol ceteth-3 acetate

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  • Identifiers

    CAS number
    100630-11-3

    Molecular formula
    C27H54O6

    SMILES
    CCCCCCCCCCCCCCCCOC(C)COCCOCCOCCOC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 40.49%
    Fruity 39.15%
    Oily 36.75%
    Fresh 34.0%
    Fatty 34.0%
    Sweet 28.83%
    Odorless 28.03%
    Alcoholic 27.22%
    Clean 23.49%
    Floral 21.42%

     

    Flavor
    Waxy 59.51%
    Green 46.79%
    Floral 44.01%
    Fruity 43.6%
    Oily 41.09%
    Mushroom 38.81%
    Fatty 37.0%
    Clean 34.82%
    Soapy 33.21%
    Rose 33.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.7

    pKa est.
    6.22 (neutral)

    Molecular weight
    474.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    521°C

    Flash point

    • 199.53 ˚C est.

  • Synonyms

    • Propylene glycol ceteth-3 acetate
    • 3,6,9,12-Tetraoxaoctacosan-1-ol, 11-methyl-, acetate
    • Propylene glycol polyethylene glycol (3) cetyl ether acetate
    • RefChem:869788
    • Oxirane, polymer with methyloxirane, monoacetate, hexadecyl ether
    • 100630-11-3
    • 93385-03-6
    • 2-[2-[2-(2-hexadecoxypropoxy)ethoxy]ethoxy]ethyl acetate
    • 11-methyl-3,6,9,12-tetraoxaoctacosan-1-yl acetate
    • DTXSID5052628
    • DTWLQQWJHSNQKD-UHFFFAOYSA-N
    • 11-Methyl-3,6,9,12-tetraoxaoctacos-1-yl acetate
    • 11-Methyl-3,6,9,12-tetraoxaoctacosan-1-ol acetate
    • 3,6,9,12-Tetraoxaoctacosan-1-ol,11-methyl-,acetate(9ci)
    • 93385-03-6

  • Applications

    Propylene glycol ceteth-3 acetate, CAS 100630-11-3, is used as a nonionic surfactant and co-solvent in personal care and cosmetic formulations (creams, shampoos), and functions as an emollient and humectant; it also acts as a plasticizer and processing aid in polymer and plastics applications, aiding production and improving flexibility of plastics; in coatings and inks it serves as a solvent and medium to improve solubility and dispersion; in cleaning and household products it is used as a co-solvent and emulsifier to enhance formulation stability and performance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.39
    methanol 8.4
    isopropanol 3.54
    water 0.16
    ethyl acetate 73.04
    n-propanol 7.2
    acetone 41.92
    n-butanol 7.02
    acetonitrile 20.6
    DMF 68.22
    toluene 32.97
    isobutanol 7.2
    1,4-dioxane 75.61
    methyl acetate 50.07
    THF 146.99
    2-butanone 58.5
    n-pentanol 8.74
    sec-butanol 8.61
    n-hexane 4.07
    ethylene glycol 1.31
    NMP 291.12
    cyclohexane 25.76
    DMSO 132.63
    n-butyl acetate 54.05
    n-octanol 15.47
    chloroform 335.52
    n-propyl acetate 73.72
    acetic acid 46.47
    dichloromethane 375.04
    cyclohexanone 197.05
    propylene glycol 2.49
    isopropyl acetate 59.5
    DMAc 212.3
    2-ethoxyethanol 33.13
    isopentanol 9.44
    n-heptane 5.83
    ethyl formate 34.49
    1,2-dichloroethane 186.26
    n-hexanol 7.02
    2-methoxyethanol 26.57
    isobutyl acetate 44.36
    tetrachloromethane 68.56
    n-pentyl acetate 97.99
    transcutol 209.07
    n-heptanol 11.95
    ethylbenzene 22.53
    MIBK 42.76
    2-propoxyethanol 27.5
    tert-butanol 8.78
    MTBE 26.29
    2-butoxyethanol 44.74
    propionic acid 29.82
    o-xylene 36.52
    formic acid 15.9
    diethyl ether 23.47
    m-xylene 25.05
    p-xylene 34.02
    chlorobenzene 63.91
    dimethyl carbonate 29.55
    n-octane 3.15
    formamide 27.37
    cyclopentanone 188.03
    2-pentanone 50.65
    anisole 48.34
    cyclopentyl methyl ether 98.13
    gamma-butyrolactone 219.58
    1-methoxy-2-propanol 24.23
    pyridine 95.22
    3-pentanone 67.51
    furfural 179.25
    n-dodecane 1.95
    diethylene glycol 12.68
    diisopropyl ether 13.8
    tert-amyl alcohol 17.3
    acetylacetone 102.64
    n-hexadecane 2.35
    acetophenone 81.35
    methyl propionate 60.73
    isopentyl acetate 54.56
    trichloroethylene 380.94
    n-nonanol 17.16
    cyclohexanol 30.39
    benzyl alcohol 26.81
    2-ethylhexanol 13.08
    isooctanol 14.23
    dipropyl ether 34.1
    1,2-dichlorobenzene 100.15
    ethyl lactate 33.39
    propylene carbonate 124.38
    n-methylformamide 28.67
    2-pentanol 6.81
    n-pentane 2.62
    1-propoxy-2-propanol 31.91
    1-methoxy-2-propyl acetate 68.56
    2-(2-methoxypropoxy) propanol 60.29
    mesitylene 19.86
    ε-caprolactone 199.11
    p-cymene 19.61
    epichlorohydrin 225.61
    1,1,1-trichloroethane 193.88
    2-aminoethanol 4.14
    morpholine-4-carbaldehyde 158.66
    sulfolane 410.72
    2,2,4-trimethylpentane 4.86
    2-methyltetrahydrofuran 110.51
    n-hexyl acetate 83.16
    isooctane 1.74
    2-(2-butoxyethoxy)ethanol 64.04
    sec-butyl acetate 58.84
    tert-butyl acetate 82.77
    decalin 11.24
    glycerin 7.47
    diglyme 197.99
    acrylic acid 28.02
    isopropyl myristate 25.83
    n-butyric acid 52.25
    acetyl acetate 76.75
    di(2-ethylhexyl) phthalate 28.24
    ethyl propionate 73.97
    nitromethane 126.83
    1,2-diethoxyethane 81.02
    benzonitrile 41.94
    trioctyl phosphate 18.14
    1-bromopropane 68.49
    gamma-valerolactone 268.8
    n-decanol 10.37
    triethyl phosphate 62.83
    4-methyl-2-pentanol 6.77
    propionitrile 19.5
    vinylene carbonate 110.57
    1,1,2-trichlorotrifluoroethane 194.01
    DMS 62.28
    cumene 17.58
    2-octanol 11.55
    2-hexanone 52.95
    octyl acetate 33.86
    limonene 33.27
    1,2-dimethoxyethane 97.79
    ethyl orthosilicate 59.44
    tributyl phosphate 26.89
    diacetone alcohol 58.66
    N,N-dimethylaniline 41.96
    acrylonitrile 26.16
    aniline 28.52
    1,3-propanediol 6.53
    bromobenzene 84.67
    dibromomethane 190.23
    1,1,2,2-tetrachloroethane 352.89
    2-methyl-cyclohexyl acetate 72.16
    tetrabutyl urea 44.1
    diisobutyl methanol 10.56
    2-phenylethanol 21.78
    styrene 26.23
    dioctyl adipate 58.59
    dimethyl sulfate 100.14
    ethyl butyrate 78.9
    methyl lactate 25.59
    butyl lactate 58.17
    diethyl carbonate 50.36
    propanediol butyl ether 29.83
    triethyl orthoformate 79.82
    p-tert-butyltoluene 17.12
    methyl 4-tert-butylbenzoate 91.52
    morpholine 85.08
    tert-butylamine 6.75
    n-dodecanol 7.2
    dimethoxymethane 43.93
    ethylene carbonate 97.33
    cyrene 83.55
    2-ethoxyethyl acetate 125.95
    2-ethylhexyl acetate 54.99
    1,2,4-trichlorobenzene 130.53
    4-methylpyridine 77.03
    dibutyl ether 44.24
    2,6-dimethyl-4-heptanol 10.56
    DEF 101.26
    dimethyl isosorbide 148.68
    tetrachloroethylene 231.35
    eugenol 65.84
    triacetin 152.62
    span 80 46.53
    1,4-butanediol 4.24
    1,1-dichloroethane 113.14
    2-methyl-1-pentanol 12.94
    methyl formate 25.64
    2-methyl-1-butanol 11.11
    n-decane 4.86
    butyronitrile 18.59
    3,7-dimethyl-1-octanol 16.53
    1-chlorooctane 24.17
    1-chlorotetradecane 6.87
    n-nonane 4.52
    undecane 2.79
    tert-butylcyclohexane 6.68
    cyclooctane 8.04
    cyclopentanol 28.18
    tetrahydropyran 89.8
    tert-amyl methyl ether 38.03
    2,5,8-trioxanonane 113.59
    1-hexene 9.97
    2-isopropoxyethanol 27.71
    2,2,2-trifluoroethanol 35.05
    methyl butyrate 97.57

    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