PPG-3 benzyl ether ethylhexanoate

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  • Identifiers

    CAS number
    1073606-36-6

    Molecular formula
    C24H40O5

    SMILES
    CCCC(CC)CC(=O)OCC(C)OCC(C)OCC(C)OCC1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 57.82%
    Buttery 25.96%
    Oily 24.97%
    Sweet 24.83%
    Peach 24.81%
    Odorless 22.78%
    Floral 22.67%
    Fatty 22.41%
    Tropical 22.08%
    Milky 21.45%

     

    Flavor
    Fruity 64.99%
    Green 56.63%
    Tropical 39.15%
    Floral 36.38%
    Oily 33.49%
    Waxy 32.34%
    Mushroom 30.07%
    Earthy 28.97%
    Sweet 26.04%
    Herbal 25.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    6.35 (neutral)

    Molecular weight
    408.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    411°C

    Flash point

    • 169.27 ˚C est.

  • Synonyms

    • PPG-3 benzyl ether ethylhexanoate
    • Crodamol sfx
    • 3N703GY99W
    • 1073606-36-6
    • PPG-3 benzyl ether ethylhexanoate [INCI]
    • RefChem:202701
    • UNII-3N703GY99W
    • Q27896638
    • 1073606-36-6

  • Applications

    PPG-3 benzyl ether ethylhexanoate (CAS 1073606-36-6) is commonly used as a solvent and plasticizer in coatings, inks, and adhesives; as a solvent, carrier medium, and softener in cosmetics and personal care formulations; as a fragrance carrier and solvent for fragrance ingredients in perfumery; as an intermediate in polymer and plastics syntheses; and may be used in cleaning formulations and household products as a solvent for active ingredients.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 72.61
    methanol 102.95
    isopropanol 50.86
    water 0.56
    ethyl acetate 245.02
    n-propanol 74.11
    acetone 269.6
    n-butanol 67.16
    acetonitrile 112.04
    DMF 150.22
    toluene 95.61
    isobutanol 59.84
    1,4-dioxane 288.97
    methyl acetate 184.95
    THF 416.8
    2-butanone 225.46
    n-pentanol 69.17
    sec-butanol 68.49
    n-hexane 5.76
    ethylene glycol 9.32
    NMP 254.49
    cyclohexane 29.01
    DMSO 396.11
    n-butyl acetate 123.64
    n-octanol 45.36
    chloroform 887.52
    n-propyl acetate 165.05
    acetic acid 239.29
    dichloromethane 1087.89
    cyclohexanone 444.23
    propylene glycol 17.85
    isopropyl acetate 142.4
    DMAc 408.72
    2-ethoxyethanol 172.93
    isopentanol 67.59
    n-heptane 5.44
    ethyl formate 127.26
    1,2-dichloroethane 617.67
    n-hexanol 48.74
    2-methoxyethanol 147.6
    isobutyl acetate 96.65
    tetrachloromethane 99.38
    n-pentyl acetate 140.64
    transcutol 547.19
    n-heptanol 46.52
    ethylbenzene 55.27
    MIBK 116.87
    2-propoxyethanol 127.82
    tert-butanol 68.08
    MTBE 95.94
    2-butoxyethanol 129.66
    propionic acid 109.69
    o-xylene 73.74
    formic acid 63.88
    diethyl ether 106.61
    m-xylene 59.2
    p-xylene 75.55
    chlorobenzene 178.97
    dimethyl carbonate 72.63
    n-octane 4.06
    formamide 98.16
    cyclopentanone 376.22
    2-pentanone 188.4
    anisole 115.71
    cyclopentyl methyl ether 170.87
    gamma-butyrolactone 404.55
    1-methoxy-2-propanol 111.73
    pyridine 244.25
    3-pentanone 174.02
    furfural 316.65
    n-dodecane 3.6
    diethylene glycol 75.35
    diisopropyl ether 30.8
    tert-amyl alcohol 86.32
    acetylacetone 280.7
    n-hexadecane 4.19
    acetophenone 159.01
    methyl propionate 159.97
    isopentyl acetate 119.31
    trichloroethylene 962.62
    n-nonanol 46.64
    cyclohexanol 121.14
    benzyl alcohol 99.04
    2-ethylhexanol 43.83
    isooctanol 44.7
    dipropyl ether 59.47
    1,2-dichlorobenzene 192.17
    ethyl lactate 71.2
    propylene carbonate 208.09
    n-methylformamide 87.29
    2-pentanol 45.69
    n-pentane 4.17
    1-propoxy-2-propanol 94.41
    1-methoxy-2-propyl acetate 137.43
    2-(2-methoxypropoxy) propanol 121.67
    mesitylene 36.3
    ε-caprolactone 364.51
    p-cymene 34.77
    epichlorohydrin 581.09
    1,1,1-trichloroethane 415.17
    2-aminoethanol 28.43
    morpholine-4-carbaldehyde 251.65
    sulfolane 444.33
    2,2,4-trimethylpentane 6.9
    2-methyltetrahydrofuran 274.49
    n-hexyl acetate 143.05
    isooctane 2.97
    2-(2-butoxyethoxy)ethanol 160.24
    sec-butyl acetate 113.4
    tert-butyl acetate 138.76
    decalin 14.27
    glycerin 31.43
    diglyme 364.97
    acrylic acid 92.06
    isopropyl myristate 47.87
    n-butyric acid 198.32
    acetyl acetate 193.33
    di(2-ethylhexyl) phthalate 57.18
    ethyl propionate 139.58
    nitromethane 414.83
    1,2-diethoxyethane 172.0
    benzonitrile 113.5
    trioctyl phosphate 39.01
    1-bromopropane 218.61
    gamma-valerolactone 492.42
    n-decanol 31.18
    triethyl phosphate 77.12
    4-methyl-2-pentanol 33.24
    propionitrile 83.34
    vinylene carbonate 205.23
    1,1,2-trichlorotrifluoroethane 332.18
    DMS 119.06
    cumene 39.04
    2-octanol 34.06
    2-hexanone 153.82
    octyl acetate 67.46
    limonene 53.22
    1,2-dimethoxyethane 285.09
    ethyl orthosilicate 73.51
    tributyl phosphate 49.81
    diacetone alcohol 135.15
    N,N-dimethylaniline 79.23
    acrylonitrile 94.62
    aniline 98.49
    1,3-propanediol 59.65
    bromobenzene 195.52
    dibromomethane 617.48
    1,1,2,2-tetrachloroethane 760.13
    2-methyl-cyclohexyl acetate 104.89
    tetrabutyl urea 68.72
    diisobutyl methanol 26.64
    2-phenylethanol 78.54
    styrene 69.76
    dioctyl adipate 91.08
    dimethyl sulfate 145.47
    ethyl butyrate 116.67
    methyl lactate 66.94
    butyl lactate 103.24
    diethyl carbonate 84.37
    propanediol butyl ether 92.04
    triethyl orthoformate 94.7
    p-tert-butyltoluene 29.98
    methyl 4-tert-butylbenzoate 133.31
    morpholine 289.43
    tert-butylamine 35.65
    n-dodecanol 22.13
    dimethoxymethane 162.47
    ethylene carbonate 189.14
    cyrene 139.32
    2-ethoxyethyl acetate 209.12
    2-ethylhexyl acetate 98.14
    1,2,4-trichlorobenzene 217.42
    4-methylpyridine 211.16
    dibutyl ether 69.91
    2,6-dimethyl-4-heptanol 26.64
    DEF 196.08
    dimethyl isosorbide 214.94
    tetrachloroethylene 474.13
    eugenol 118.09
    triacetin 189.1
    span 80 101.66
    1,4-butanediol 36.99
    1,1-dichloroethane 417.26
    2-methyl-1-pentanol 76.21
    methyl formate 91.34
    2-methyl-1-butanol 71.9
    n-decane 7.29
    butyronitrile 90.29
    3,7-dimethyl-1-octanol 45.67
    1-chlorooctane 42.29
    1-chlorotetradecane 13.89
    n-nonane 6.3
    undecane 4.82
    tert-butylcyclohexane 9.56
    cyclooctane 6.74
    cyclopentanol 110.4
    tetrahydropyran 302.11
    tert-amyl methyl ether 94.09
    2,5,8-trioxanonane 223.32
    1-hexene 30.88
    2-isopropoxyethanol 127.79
    2,2,2-trifluoroethanol 103.61
    methyl butyrate 190.19

    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