2,3-Dihydroxypropyl 2,2,3,3,4,4,5,5,6-nonakis(2,3-dihydroxypropyl)dodecanoate

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  • Identifiers

    CAS number
    34406-66-1

    Molecular formula
    C42H84O22

    SMILES
    CCCCCCC(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(=O)OCC(CO)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 58.69%
    Sweet 32.52%
    Alcoholic 27.54%
    Oily 26.67%
    Cooling 21.3%
    Fishy 20.0%
    Milky 19.18%
    Clean 19.05%
    Buttery 18.97%
    Savory 18.46%

     

    Flavor
    Odorless 58.7%
    Sweet 35.93%
    Bitter 35.54%
    Bland 30.84%
    Sweet-like 29.83%
    Mild 28.53%
    Very slight 20.06%
    Sandalwood 18.97%
    Yeasty 18.81%
    Clary 18.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -6.1

    pKa est.
    2.26 (strong acid)

    Molecular weight
    941.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    3937°C

    Flash point

    • 386.39 ˚C est.

  • Synonyms

    • 34406-66-1
    • 2,3-dihydroxypropyl 2,2,3,3,4,4,5,5,6-nonakis(2,3-dihydroxypropyl)dodecanoate
    • SCHEMBL25437401
    • SXCCYPSQCCKDHO-UHFFFAOYSA-N
    • CID 90471646
    • 34406-66-1

  • Applications

    Chemical name: 2,3-Dihydroxypropyl 2,2,3,3,4,4,5,5,6-nonakis(2,3-dihydroxypropyl)dodecanoate; CAS 34406-66-1. The compound is a long-chain fatty acid ester bearing multiple hydroxyl groups and is typically used as a processing aid and intermediate in industrial manufacturing, as a plasticizer or co-plasticizer for polymers and coatings, as an emollient and humectant in cosmetics and personal care products, as a surfactant or emulsifier in household products and cleaners, as a precursor for synthesizing more complex polyol esters for specialty polymers and coatings, and as a lubricity-enhancing additive in certain industrial lubricants.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.61
    methanol 97.45
    isopropanol 12.43
    water 31.53
    ethyl acetate 6.59
    n-propanol 17.54
    acetone 24.54
    n-butanol 7.95
    acetonitrile 6.53
    DMF 165.42
    toluene 1.96
    isobutanol 6.04
    1,4-dioxane 23.79
    methyl acetate 8.59
    THF 41.87
    2-butanone 10.55
    n-pentanol 5.72
    sec-butanol 7.07
    n-hexane 0.38
    ethylene glycol 66.07
    NMP 134.53
    cyclohexane 0.83
    DMSO 230.48
    n-butyl acetate 3.0
    n-octanol 3.49
    chloroform 3.93
    n-propyl acetate 3.6
    acetic acid 100.37
    dichloromethane 4.98
    cyclohexanone 15.16
    propylene glycol 53.03
    isopropyl acetate 4.01
    DMAc 117.6
    2-ethoxyethanol 41.22
    isopentanol 3.14
    n-heptane 0.49
    ethyl formate 11.56
    1,2-dichloroethane 4.52
    n-hexanol 3.7
    2-methoxyethanol 94.47
    isobutyl acetate 1.4
    tetrachloromethane 1.4
    n-pentyl acetate 4.03
    transcutol 40.27
    n-heptanol 4.07
    ethylbenzene 1.0
    MIBK 2.89
    2-propoxyethanol 25.26
    tert-butanol 6.35
    MTBE 2.67
    2-butoxyethanol 18.19
    propionic acid 21.76
    o-xylene 1.6
    formic acid 188.08
    diethyl ether 4.8
    m-xylene 1.19
    p-xylene 0.92
    chlorobenzene 1.12
    dimethyl carbonate 17.23
    n-octane 0.33
    formamide 150.21
    cyclopentanone 29.06
    2-pentanone 7.5
    anisole 2.63
    cyclopentyl methyl ether 8.94
    gamma-butyrolactone 39.83
    1-methoxy-2-propanol 49.52
    pyridine 13.16
    3-pentanone 6.43
    furfural 33.28
    n-dodecane 0.17
    diethylene glycol 43.13
    diisopropyl ether 0.88
    tert-amyl alcohol 4.8
    acetylacetone 15.3
    n-hexadecane 0.18
    acetophenone 4.74
    methyl propionate 12.46
    isopentyl acetate 1.75
    trichloroethylene 6.57
    n-nonanol 3.26
    cyclohexanol 6.01
    benzyl alcohol 5.7
    2-ethylhexanol 1.41
    isooctanol 2.08
    dipropyl ether 3.32
    1,2-dichlorobenzene 1.01
    ethyl lactate 8.9
    propylene carbonate 15.29
    n-methylformamide 81.41
    2-pentanol 3.61
    n-pentane 0.55
    1-propoxy-2-propanol 13.33
    1-methoxy-2-propyl acetate 9.29
    2-(2-methoxypropoxy) propanol 10.75
    mesitylene 0.69
    ε-caprolactone 17.34
    p-cymene 0.67
    epichlorohydrin 20.74
    1,1,1-trichloroethane 1.74
    2-aminoethanol 62.48
    morpholine-4-carbaldehyde 113.8
    sulfolane 93.49
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 10.72
    n-hexyl acetate 3.96
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 18.17
    sec-butyl acetate 1.89
    tert-butyl acetate 3.44
    decalin 0.23
    glycerin 106.1
    diglyme 28.48
    acrylic acid 33.91
    isopropyl myristate 1.19
    n-butyric acid 15.61
    acetyl acetate 5.93
    di(2-ethylhexyl) phthalate 2.0
    ethyl propionate 3.76
    nitromethane 76.7
    1,2-diethoxyethane 6.48
    benzonitrile 2.56
    trioctyl phosphate 1.96
    1-bromopropane 1.98
    gamma-valerolactone 74.4
    n-decanol 2.16
    triethyl phosphate 2.05
    4-methyl-2-pentanol 1.45
    propionitrile 4.21
    vinylene carbonate 14.86
    1,1,2-trichlorotrifluoroethane 47.19
    DMS 6.14
    cumene 0.58
    2-octanol 2.11
    2-hexanone 3.78
    octyl acetate 2.35
    limonene 1.11
    1,2-dimethoxyethane 27.63
    ethyl orthosilicate 1.82
    tributyl phosphate 1.74
    diacetone alcohol 11.71
    N,N-dimethylaniline 2.97
    acrylonitrile 7.66
    aniline 4.86
    1,3-propanediol 42.2
    bromobenzene 0.79
    dibromomethane 2.87
    1,1,2,2-tetrachloroethane 6.25
    2-methyl-cyclohexyl acetate 2.27
    tetrabutyl urea 3.79
    diisobutyl methanol 0.73
    2-phenylethanol 3.91
    styrene 1.04
    dioctyl adipate 2.75
    dimethyl sulfate 37.01
    ethyl butyrate 2.89
    methyl lactate 31.21
    butyl lactate 8.44
    diethyl carbonate 1.93
    propanediol butyl ether 25.14
    triethyl orthoformate 2.89
    p-tert-butyltoluene 0.72
    methyl 4-tert-butylbenzoate 6.85
    morpholine 36.45
    tert-butylamine 2.52
    n-dodecanol 1.44
    dimethoxymethane 53.75
    ethylene carbonate 11.17
    cyrene 25.17
    2-ethoxyethyl acetate 8.56
    2-ethylhexyl acetate 1.34
    1,2,4-trichlorobenzene 1.63
    4-methylpyridine 6.64
    dibutyl ether 1.75
    2,6-dimethyl-4-heptanol 0.73
    DEF 19.95
    dimethyl isosorbide 17.03
    tetrachloroethylene 5.5
    eugenol 7.54
    triacetin 8.12
    span 80 12.59
    1,4-butanediol 18.16
    1,1-dichloroethane 2.41
    2-methyl-1-pentanol 2.46
    methyl formate 56.45
    2-methyl-1-butanol 3.91
    n-decane 0.34
    butyronitrile 3.02
    3,7-dimethyl-1-octanol 1.27
    1-chlorooctane 0.93
    1-chlorotetradecane 0.35
    n-nonane 0.33
    undecane 0.23
    tert-butylcyclohexane 0.15
    cyclooctane 0.38
    cyclopentanol 11.93
    tetrahydropyran 10.05
    tert-amyl methyl ether 2.85
    2,5,8-trioxanonane 18.99
    1-hexene 0.94
    2-isopropoxyethanol 14.38
    2,2,2-trifluoroethanol 49.34
    methyl butyrate 5.34

    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