Sorbitan, octanoate (2:3)

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  • Identifiers

    CAS number
    91844-53-0

    Molecular formula
    C14H28O8

    SMILES
    CCCCCCCC(=O)OC([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 46.62%
    Fruity 39.7%
    Oily 38.01%
    Sweet 33.51%
    Fatty 31.37%
    Lactonic 30.87%
    Buttery 30.8%
    Milky 27.48%
    Fresh 26.07%
    Peach 25.03%

     

    Flavor
    Odorless 56.24%
    Sweet 40.14%
    Bland 30.4%
    Mild 29.44%
    Sweet-like 29.09%
    Waxy 23.73%
    Fatty 21.55%
    Very slight 20.93%
    Very mild 20.9%
    Bay oil 20.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    5.53 (weak acid)

    Molecular weight
    324.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    800°C

    Flash point

    • 236.9 ˚C est.

  • Synonyms

    • Sorbitan, octanoate (2:3)
    • RefChem:888312
    • DTXSID70108269
    • 295-118-4
    • SCHEMBL313303
    • DRDLXVUYNXNFPO-GQYPCLOQSA-N
    • 91844-53-0
    • 91844-53-0

  • Applications

    Sorbitan octanoate (2:3) (CAS 91844-53-0) is mainly used as a nonionic emulsifier and surfactant with stabilizing properties in emulsions. In cosmetics and personal care, it stabilizes oil-in-water emulsions and improves oil dispersion in products such as moisturizers and shampoos. In household cleaning products it acts as an emulsifier and dispersing agent to aid cleaning of surfaces. In coatings and inks it serves as an emulsifier and dispersing agent to improve pigment dispersion and film formation. In polymers and plastics it can function as a processing aid and, in some formulations, as a plasticizer or compatibilizer to improve emulsification and dispersion of components. In pharmaceutical formulations it can be used as an excipient or solubilizer to enhance drug solubility, and in agrochemical formulations as an emulsifier, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.03
    methanol 72.16
    isopropanol 3.6
    water 68.11
    ethyl acetate 3.56
    n-propanol 7.07
    acetone 7.47
    n-butanol 4.85
    acetonitrile 2.0
    DMF 181.64
    toluene 0.96
    isobutanol 3.52
    1,4-dioxane 10.02
    methyl acetate 3.97
    THF 14.52
    2-butanone 4.46
    n-pentanol 2.86
    sec-butanol 4.19
    n-hexane 0.15
    ethylene glycol 128.53
    NMP 241.98
    cyclohexane 0.88
    DMSO 807.28
    n-butyl acetate 2.04
    n-octanol 3.02
    chloroform 0.92
    n-propyl acetate 1.9
    acetic acid 109.98
    dichloromethane 1.23
    cyclohexanone 17.4
    propylene glycol 78.54
    isopropyl acetate 3.07
    DMAc 176.58
    2-ethoxyethanol 41.06
    isopentanol 4.56
    n-heptane 0.34
    ethyl formate 4.88
    1,2-dichloroethane 2.07
    n-hexanol 3.9
    2-methoxyethanol 126.85
    isobutyl acetate 1.16
    tetrachloromethane 0.54
    n-pentyl acetate 2.64
    transcutol 82.67
    n-heptanol 4.08
    ethylbenzene 0.76
    MIBK 4.19
    2-propoxyethanol 27.72
    tert-butanol 8.13
    MTBE 2.03
    2-butoxyethanol 17.93
    propionic acid 27.57
    o-xylene 1.91
    formic acid 393.23
    diethyl ether 1.18
    m-xylene 1.37
    p-xylene 0.86
    chlorobenzene 0.7
    dimethyl carbonate 12.25
    n-octane 0.24
    formamide 322.09
    cyclopentanone 24.15
    2-pentanone 4.43
    anisole 2.21
    cyclopentyl methyl ether 7.75
    gamma-butyrolactone 39.73
    1-methoxy-2-propanol 59.2
    pyridine 5.22
    3-pentanone 4.63
    furfural 37.73
    n-dodecane 0.16
    diethylene glycol 84.27
    diisopropyl ether 0.83
    tert-amyl alcohol 7.9
    acetylacetone 18.24
    n-hexadecane 0.18
    acetophenone 6.23
    methyl propionate 8.47
    isopentyl acetate 2.49
    trichloroethylene 3.81
    n-nonanol 2.9
    cyclohexanol 10.91
    benzyl alcohol 6.61
    2-ethylhexanol 2.15
    isooctanol 3.19
    dipropyl ether 1.54
    1,2-dichlorobenzene 1.28
    ethyl lactate 10.79
    propylene carbonate 16.01
    n-methylformamide 69.11
    2-pentanol 3.01
    n-pentane 0.2
    1-propoxy-2-propanol 14.57
    1-methoxy-2-propyl acetate 10.71
    2-(2-methoxypropoxy) propanol 22.18
    mesitylene 1.21
    ε-caprolactone 19.8
    p-cymene 1.08
    epichlorohydrin 13.85
    1,1,1-trichloroethane 1.0
    2-aminoethanol 103.76
    morpholine-4-carbaldehyde 125.59
    sulfolane 228.18
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 6.1
    n-hexyl acetate 3.91
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 31.27
    sec-butyl acetate 1.54
    tert-butyl acetate 5.94
    decalin 0.35
    glycerin 247.29
    diglyme 48.14
    acrylic acid 47.41
    isopropyl myristate 1.46
    n-butyric acid 18.23
    acetyl acetate 5.29
    di(2-ethylhexyl) phthalate 3.74
    ethyl propionate 2.42
    nitromethane 86.69
    1,2-diethoxyethane 4.67
    benzonitrile 2.42
    trioctyl phosphate 3.26
    1-bromopropane 0.53
    gamma-valerolactone 62.14
    n-decanol 2.16
    triethyl phosphate 3.62
    4-methyl-2-pentanol 2.3
    propionitrile 1.55
    vinylene carbonate 12.49
    1,1,2-trichlorotrifluoroethane 78.85
    DMS 7.87
    cumene 0.75
    2-octanol 2.04
    2-hexanone 2.05
    octyl acetate 2.41
    limonene 1.8
    1,2-dimethoxyethane 19.93
    ethyl orthosilicate 3.06
    tributyl phosphate 3.06
    diacetone alcohol 31.0
    N,N-dimethylaniline 3.59
    acrylonitrile 4.05
    aniline 3.8
    1,3-propanediol 74.1
    bromobenzene 0.53
    dibromomethane 0.74
    1,1,2,2-tetrachloroethane 4.88
    2-methyl-cyclohexyl acetate 3.77
    tetrabutyl urea 5.73
    diisobutyl methanol 1.75
    2-phenylethanol 5.52
    styrene 0.65
    dioctyl adipate 3.96
    dimethyl sulfate 53.3
    ethyl butyrate 2.19
    methyl lactate 39.91
    butyl lactate 8.69
    diethyl carbonate 1.82
    propanediol butyl ether 28.87
    triethyl orthoformate 2.87
    p-tert-butyltoluene 1.19
    methyl 4-tert-butylbenzoate 13.56
    morpholine 17.93
    tert-butylamine 2.35
    n-dodecanol 1.62
    dimethoxymethane 31.47
    ethylene carbonate 9.18
    cyrene 48.71
    2-ethoxyethyl acetate 6.24
    2-ethylhexyl acetate 1.75
    1,2,4-trichlorobenzene 2.28
    4-methylpyridine 3.39
    dibutyl ether 1.11
    2,6-dimethyl-4-heptanol 1.75
    DEF 22.47
    dimethyl isosorbide 37.28
    tetrachloroethylene 4.57
    eugenol 13.69
    triacetin 11.95
    span 80 21.77
    1,4-butanediol 25.63
    1,1-dichloroethane 0.6
    2-methyl-1-pentanol 3.26
    methyl formate 35.84
    2-methyl-1-butanol 4.75
    n-decane 0.27
    butyronitrile 1.15
    3,7-dimethyl-1-octanol 2.66
    1-chlorooctane 0.73
    1-chlorotetradecane 0.36
    n-nonane 0.26
    undecane 0.2
    tert-butylcyclohexane 0.2
    cyclooctane 0.53
    cyclopentanol 12.88
    tetrahydropyran 3.81
    tert-amyl methyl ether 3.3
    2,5,8-trioxanonane 43.84
    1-hexene 0.3
    2-isopropoxyethanol 16.37
    2,2,2-trifluoroethanol 63.23
    methyl butyrate 3.77

    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