Sorbitan, isooctadecanoate

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  • Identifiers

    CAS number
    71902-01-7

    Molecular formula
    C23H48O8

    SMILES
    CC(C)CCCCCCCCCCCCCCC(=O)O.C([C@@H]([C@H]([C@@H](C(O)O)O)O)O)O

  • Odor profile

    Waxy 47.63%
    Fatty 46.71%
    Odorless 45.19%
    Oily 32.67%
    Milky 27.17%
    Citrus 26.32%
    Creamy 22.87%
    Lactonic 22.8%
    Savory 22.28%
    Fresh 22.22%

    Scent© AI

  • Properties

    Molecular weight
    452.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    700°C

    Flash point est.
    185.33 ˚C

  • Synonyms

    • Sorbitan, isooctadecanoate
    • 71902-01-7
    • EINECS 276-171-2
    • 16-methylheptadecanoic acid;(2S,3R,4S)-pentane-1,1,2,3,4,5-hexol
    • EC 276-171-2
    • SCHEMBL21268706
    • DTXSID50894597
    • DAPHOROYFQLVHF-DAPNYWPISA-N
    • 276-171-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.58
    methanol 65.42
    isopropanol 7.0
    water 6.92
    ethyl acetate 4.5
    n-propanol 12.32
    acetone 7.97
    n-butanol 10.2
    acetonitrile 2.37
    DMF 43.14
    toluene 1.14
    isobutanol 7.1
    1,4-dioxane 8.24
    methyl acetate 2.74
    THF 16.71
    2-butanone 5.44
    n-pentanol 9.47
    sec-butanol 6.7
    n-hexane 0.99
    ethylene glycol 19.51
    NMP 68.71
    cyclohexane 1.35
    DMSO 175.69
    n-butyl acetate 4.36
    n-octanol 6.92
    chloroform 5.67
    n-propyl acetate 5.16
    acetic acid 31.34
    dichloromethane 6.05
    cyclohexanone 16.04
    propylene glycol 23.78
    isopropyl acetate 5.46
    DMAc 54.21
    2-ethoxyethanol 37.64
    isopentanol 9.35
    n-heptane 1.32
    ethyl formate 6.18
    1,2-dichloroethane 6.61
    n-hexanol 7.65
    2-methoxyethanol 54.07
    isobutyl acetate 3.42
    tetrachloromethane 2.24
    n-pentyl acetate 7.39
    transcutol 64.74
    n-heptanol 10.14
    ethylbenzene 1.87
    MIBK 8.51
    2-propoxyethanol 27.8
    tert-butanol 9.99
    MTBE 3.1
    2-butoxyethanol 28.11
    propionic acid 12.72
    o-xylene 3.05
    formic acid 47.82
    diethyl ether 3.24
    m-xylene 2.96
    p-xylene 2.06
    chlorobenzene 1.3
    dimethyl carbonate 5.08
    n-octane 0.92
    formamide 53.48
    cyclopentanone 21.63
    2-pentanone 7.74
    anisole 2.96
    cyclopentyl methyl ether 10.86
    gamma-butyrolactone 23.79
    1-methoxy-2-propanol 38.06
    pyridine 3.93
    3-pentanone 5.95
    furfural 23.14
    n-dodecane 0.47
    diethylene glycol 39.43
    diisopropyl ether 2.24
    tert-amyl alcohol 8.95
    acetylacetone 15.1
    n-hexadecane 0.51
    acetophenone 7.83
    methyl propionate 6.56
    isopentyl acetate 5.16
    trichloroethylene 9.89
    n-nonanol 6.9
    cyclohexanol 10.01
    benzyl alcohol 6.57
    2-ethylhexanol 5.22
    isooctanol 8.48
    dipropyl ether 4.74
    1,2-dichlorobenzene 2.71
    ethyl lactate 12.68
    propylene carbonate 12.98
    n-methylformamide 23.37
    2-pentanol 6.45
    n-pentane 0.95
    1-propoxy-2-propanol 19.61
    1-methoxy-2-propyl acetate 11.85
    2-(2-methoxypropoxy) propanol 21.23
    mesitylene 2.95
    ε-caprolactone 16.7
    p-cymene 2.74
    epichlorohydrin 16.16
    1,1,1-trichloroethane 3.26
    2-aminoethanol 35.24
    morpholine-4-carbaldehyde 49.0
    sulfolane 85.67
    2,2,4-trimethylpentane 0.79
    2-methyltetrahydrofuran 7.44
    n-hexyl acetate 7.88
    isooctane 0.62
    2-(2-butoxyethoxy)ethanol 31.41
    sec-butyl acetate 4.08
    tert-butyl acetate 9.51
    decalin 1.07
    glycerin 58.5
    diglyme 45.76
    acrylic acid 13.93
    isopropyl myristate 3.2
    n-butyric acid 17.83
    acetyl acetate 5.46
    di(2-ethylhexyl) phthalate 5.82
    ethyl propionate 5.45
    nitromethane 26.1
    1,2-diethoxyethane 8.2
    benzonitrile 3.38
    trioctyl phosphate 5.48
    1-bromopropane 2.72
    gamma-valerolactone 39.79
    n-decanol 4.64
    triethyl phosphate 5.61
    4-methyl-2-pentanol 5.88
    propionitrile 2.49
    vinylene carbonate 10.06
    1,1,2-trichlorotrifluoroethane 49.3
    DMS 7.28
    cumene 2.28
    2-octanol 5.43
    2-hexanone 5.81
    octyl acetate 4.38
    limonene 3.69
    1,2-dimethoxyethane 24.33
    ethyl orthosilicate 5.72
    tributyl phosphate 5.18
    diacetone alcohol 27.24
    N,N-dimethylaniline 5.96
    acrylonitrile 3.86
    aniline 2.8
    1,3-propanediol 33.7
    bromobenzene 1.16
    dibromomethane 3.92
    1,1,2,2-tetrachloroethane 13.63
    2-methyl-cyclohexyl acetate 7.75
    tetrabutyl urea 8.24
    diisobutyl methanol 4.75
    2-phenylethanol 7.17
    styrene 1.27
    dioctyl adipate 6.36
    dimethyl sulfate 19.1
    ethyl butyrate 5.18
    methyl lactate 19.11
    butyl lactate 15.48
    diethyl carbonate 3.42
    propanediol butyl ether 29.1
    triethyl orthoformate 5.94
    p-tert-butyltoluene 2.95
    methyl 4-tert-butylbenzoate 17.67
    morpholine 14.3
    tert-butylamine 4.47
    n-dodecanol 3.11
    dimethoxymethane 18.91
    ethylene carbonate 8.4
    cyrene 35.73
    2-ethoxyethyl acetate 9.85
    2-ethylhexyl acetate 3.98
    1,2,4-trichlorobenzene 3.34
    4-methylpyridine 3.21
    dibutyl ether 3.49
    2,6-dimethyl-4-heptanol 4.75
    DEF 17.88
    dimethyl isosorbide 35.35
    tetrachloroethylene 10.66
    eugenol 19.34
    triacetin 14.57
    span 80 21.89
    1,4-butanediol 18.21
    1,1-dichloroethane 2.59
    2-methyl-1-pentanol 8.19
    methyl formate 12.95
    2-methyl-1-butanol 8.31
    n-decane 0.91
    butyronitrile 3.13
    3,7-dimethyl-1-octanol 5.91
    1-chlorooctane 2.83
    1-chlorotetradecane 1.03
    n-nonane 0.88
    undecane 0.62
    tert-butylcyclohexane 0.89
    cyclooctane 1.06
    cyclopentanol 11.45
    tetrahydropyran 5.25
    tert-amyl methyl ether 4.79
    2,5,8-trioxanonane 35.39
    1-hexene 1.83
    2-isopropoxyethanol 20.82
    2,2,2-trifluoroethanol 18.86
    methyl butyrate 7.78

    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