2-[1-[1-(2-Hexyldodecoxy)propan-2-yloxy]propan-2-yloxy]ethyl acetate

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  • Identifiers

    CAS number
    178900-23-7

    Molecular formula
    C28H56O5

    SMILES
    CCCCCCCCCCC(CCCCCC)COCC(C)OCC(C)OCCOC(=O)C

  • Odor profile

    Fruity 46.91%
    Oily 42.48%
    Waxy 41.74%
    Fatty 37.46%
    Fresh 35.93%
    Floral 27.99%
    Sweet 26.77%
    Woody 26.41%
    Citrus 25.95%
    Odorless 25.27%

    Scent© AI

  • Properties

    XLogP3-AA
    9.1

    Molecular weight
    472.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    469°C

    Flash point est.
    187.13 ˚C

  • Synonyms

    • Propylene glycol isoceteth-3 acetate
    • 178900-23-7
    • 2-[1-[1-(2-hexyldodecoxy)propan-2-yloxy]propan-2-yloxy]ethyl acetate
    • FHCBGGAPSRVQCN-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 32.01
    methanol 44.57
    isopropanol 30.05
    water 0.35
    ethyl acetate 358.34
    n-propanol 51.6
    acetone 201.73
    n-butanol 52.16
    acetonitrile 83.6
    DMF 196.04
    toluene 123.45
    isobutanol 51.94
    1,4-dioxane 309.05
    methyl acetate 213.2
    THF 559.75
    2-butanone 256.08
    n-pentanol 51.72
    sec-butanol 63.31
    n-hexane 22.92
    ethylene glycol 4.65
    NMP 715.1
    cyclohexane 128.17
    DMSO 333.89
    n-butyl acetate 240.54
    n-octanol 71.84
    chloroform 936.54
    n-propyl acetate 309.26
    acetic acid 206.29
    dichloromethane 1010.37
    cyclohexanone 733.82
    propylene glycol 10.75
    isopropyl acetate 316.17
    DMAc 618.7
    2-ethoxyethanol 140.27
    isopentanol 71.03
    n-heptane 24.24
    ethyl formate 133.4
    1,2-dichloroethane 590.73
    n-hexanol 40.9
    2-methoxyethanol 119.52
    isobutyl acetate 191.12
    tetrachloromethane 227.83
    n-pentyl acetate 419.65
    transcutol 759.04
    n-heptanol 62.28
    ethylbenzene 83.87
    MIBK 228.12
    2-propoxyethanol 116.23
    tert-butanol 65.18
    MTBE 170.19
    2-butoxyethanol 190.63
    propionic acid 128.85
    o-xylene 129.63
    formic acid 46.47
    diethyl ether 154.39
    m-xylene 94.21
    p-xylene 123.65
    chlorobenzene 206.78
    dimethyl carbonate 100.27
    n-octane 12.43
    formamide 78.01
    cyclopentanone 626.49
    2-pentanone 270.32
    anisole 161.96
    cyclopentyl methyl ether 410.19
    gamma-butyrolactone 647.36
    1-methoxy-2-propanol 124.97
    pyridine 284.45
    3-pentanone 272.43
    furfural 429.75
    n-dodecane 6.59
    diethylene glycol 46.07
    diisopropyl ether 85.51
    tert-amyl alcohol 113.05
    acetylacetone 428.27
    n-hexadecane 8.02
    acetophenone 246.52
    methyl propionate 249.69
    isopentyl acetate 247.92
    trichloroethylene 1018.46
    n-nonanol 74.09
    cyclohexanol 165.51
    benzyl alcohol 92.72
    2-ethylhexanol 63.2
    isooctanol 72.76
    dipropyl ether 150.63
    1,2-dichlorobenzene 291.25
    ethyl lactate 108.43
    propylene carbonate 374.46
    n-methylformamide 92.69
    2-pentanol 53.02
    n-pentane 16.89
    1-propoxy-2-propanol 137.02
    1-methoxy-2-propyl acetate 261.33
    2-(2-methoxypropoxy) propanol 173.22
    mesitylene 73.21
    ε-caprolactone 732.68
    p-cymene 68.93
    epichlorohydrin 699.41
    1,1,1-trichloroethane 694.63
    2-aminoethanol 17.5
    morpholine-4-carbaldehyde 450.37
    sulfolane 959.75
    2,2,4-trimethylpentane 25.99
    2-methyltetrahydrofuran 486.89
    n-hexyl acetate 355.3
    isooctane 9.6
    2-(2-butoxyethoxy)ethanol 218.14
    sec-butyl acetate 265.45
    tert-butyl acetate 391.73
    decalin 45.82
    glycerin 24.61
    diglyme 645.22
    acrylic acid 94.93
    isopropyl myristate 92.72
    n-butyric acid 275.88
    acetyl acetate 318.34
    di(2-ethylhexyl) phthalate 89.06
    ethyl propionate 294.07
    nitromethane 409.12
    1,2-diethoxyethane 322.46
    benzonitrile 129.55
    trioctyl phosphate 62.25
    1-bromopropane 280.3
    gamma-valerolactone 850.46
    n-decanol 42.92
    triethyl phosphate 164.6
    4-methyl-2-pentanol 46.72
    propionitrile 85.04
    vinylene carbonate 303.57
    1,1,2-trichlorotrifluoroethane 489.24
    DMS 206.99
    cumene 63.27
    2-octanol 59.94
    2-hexanone 237.2
    octyl acetate 126.85
    limonene 127.93
    1,2-dimethoxyethane 354.54
    ethyl orthosilicate 169.41
    tributyl phosphate 88.87
    diacetone alcohol 267.04
    N,N-dimethylaniline 123.56
    acrylonitrile 92.27
    aniline 108.63
    1,3-propanediol 37.93
    bromobenzene 257.76
    dibromomethane 570.04
    1,1,2,2-tetrachloroethane 943.92
    2-methyl-cyclohexyl acetate 237.12
    tetrabutyl urea 132.26
    diisobutyl methanol 48.3
    2-phenylethanol 77.08
    styrene 95.46
    dioctyl adipate 175.24
    dimethyl sulfate 245.55
    ethyl butyrate 294.97
    methyl lactate 91.73
    butyl lactate 233.91
    diethyl carbonate 167.28
    propanediol butyl ether 126.04
    triethyl orthoformate 249.25
    p-tert-butyltoluene 59.81
    methyl 4-tert-butylbenzoate 266.9
    morpholine 365.87
    tert-butylamine 45.81
    n-dodecanol 28.01
    dimethoxymethane 176.33
    ethylene carbonate 307.71
    cyrene 204.97
    2-ethoxyethyl acetate 484.28
    2-ethylhexyl acetate 232.69
    1,2,4-trichlorobenzene 354.38
    4-methylpyridine 271.53
    dibutyl ether 174.04
    2,6-dimethyl-4-heptanol 48.3
    DEF 405.37
    dimethyl isosorbide 378.03
    tetrachloroethylene 673.91
    eugenol 182.83
    triacetin 454.63
    span 80 154.26
    1,4-butanediol 19.71
    1,1-dichloroethane 446.09
    2-methyl-1-pentanol 74.41
    methyl formate 77.63
    2-methyl-1-butanol 76.99
    n-decane 17.98
    butyronitrile 94.55
    3,7-dimethyl-1-octanol 75.47
    1-chlorooctane 92.47
    1-chlorotetradecane 23.62
    n-nonane 17.34
    undecane 9.84
    tert-butylcyclohexane 29.41
    cyclooctane 37.02
    cyclopentanol 141.99
    tetrahydropyran 437.55
    tert-amyl methyl ether 206.87
    2,5,8-trioxanonane 312.56
    1-hexene 55.83
    2-isopropoxyethanol 128.14
    2,2,2-trifluoroethanol 117.85
    methyl butyrate 376.13

    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