Triethanolammonium isononanoate

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  • Identifiers

    CAS number
    67801-51-8

    Molecular formula
    C15H33NO5

    SMILES
    CC(C)CCCCCC(=O)O.C(CO)N(CCO)CCO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Odorless 41.37%
    Sweet 37.8%
    Fishy 31.84%
    Oily 30.13%
    Fresh 25.38%
    Cheesy 25.04%
    Cooling 24.65%
    Alcoholic 24.1%
    Savory 22.14%
    Fatty 21.84%

    Scent© AI

  • Properties

    Molecular weight
    307.43 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    463°C

    Flash point est.
    155.38 ˚C

  • Synonyms

    • Triethanolamine isononanoate
    • Triethanolammonium isononanoate
    • 67801-51-8
    • Isononanoic acid, triethanolamine salt
    • EINECS 267-170-8
    • EINECS 302-392-1
    • 15730PB09P
    • 94108-51-7
    • Isononanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
    • 7-Methyloctanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
    • Ethanol, 2,2',2''-nitrilotris-, isononanoate (salt)
    • DTXSID5029398
    • UNII-15730PB09P
    • DTXSID30891786
    • NS00086620
    • Q27894244
    • Ethanol, 2,2',2''-nitrilotris-, 7-methyloctanoate (salt)
    • 267-170-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.8
    methanol 254.43
    isopropanol 6.7
    water 524.43
    ethyl acetate 2.5
    n-propanol 24.69
    acetone 1.62
    n-butanol 13.7
    acetonitrile 1.34
    DMF 40.03
    toluene 0.48
    isobutanol 11.53
    1,4-dioxane 3.55
    methyl acetate 1.49
    THF 6.86
    2-butanone 1.53
    n-pentanol 9.32
    sec-butanol 6.41
    n-hexane 0.68
    ethylene glycol 230.82
    NMP 137.93
    cyclohexane 0.83
    DMSO 192.59
    n-butyl acetate 3.03
    n-octanol 4.13
    chloroform 5.21
    n-propyl acetate 3.02
    acetic acid 139.24
    dichloromethane 7.12
    cyclohexanone 10.33
    propylene glycol 109.13
    isopropyl acetate 1.86
    DMAc 46.45
    2-ethoxyethanol 48.05
    isopentanol 7.86
    n-heptane 0.8
    ethyl formate 7.29
    1,2-dichloroethane 5.79
    n-hexanol 8.53
    2-methoxyethanol 95.42
    isobutyl acetate 2.2
    tetrachloromethane 2.43
    n-pentyl acetate 3.15
    transcutol 58.33
    n-heptanol 6.92
    ethylbenzene 0.86
    MIBK 2.03
    2-propoxyethanol 34.0
    tert-butanol 7.7
    MTBE 0.89
    2-butoxyethanol 22.69
    propionic acid 45.96
    o-xylene 1.9
    formic acid 582.83
    diethyl ether 1.15
    m-xylene 1.73
    p-xylene 1.07
    chlorobenzene 0.86
    dimethyl carbonate 2.77
    n-octane 0.46
    formamide 321.51
    cyclopentanone 11.62
    2-pentanone 1.91
    anisole 1.26
    cyclopentyl methyl ether 5.1
    gamma-butyrolactone 29.01
    1-methoxy-2-propanol 30.92
    pyridine 2.37
    3-pentanone 2.41
    furfural 32.3
    n-dodecane 0.25
    diethylene glycol 81.04
    diisopropyl ether 0.72
    tert-amyl alcohol 7.21
    acetylacetone 4.16
    n-hexadecane 0.26
    acetophenone 4.06
    methyl propionate 4.51
    isopentyl acetate 3.14
    trichloroethylene 7.79
    n-nonanol 3.88
    cyclohexanol 10.9
    benzyl alcohol 5.83
    2-ethylhexanol 4.07
    isooctanol 5.46
    dipropyl ether 2.42
    1,2-dichlorobenzene 2.28
    ethyl lactate 12.04
    propylene carbonate 15.47
    n-methylformamide 56.77
    2-pentanol 4.31
    n-pentane 0.61
    1-propoxy-2-propanol 15.99
    1-methoxy-2-propyl acetate 7.05
    2-(2-methoxypropoxy) propanol 18.45
    mesitylene 1.77
    ε-caprolactone 16.51
    p-cymene 1.94
    epichlorohydrin 11.9
    1,1,1-trichloroethane 2.01
    2-aminoethanol 235.62
    morpholine-4-carbaldehyde 59.01
    sulfolane 103.68
    2,2,4-trimethylpentane 0.48
    2-methyltetrahydrofuran 3.54
    n-hexyl acetate 4.07
    isooctane 0.3
    2-(2-butoxyethoxy)ethanol 25.39
    sec-butyl acetate 1.83
    tert-butyl acetate 2.78
    decalin 0.59
    glycerin 266.88
    diglyme 33.05
    acrylic acid 63.5
    isopropyl myristate 1.55
    n-butyric acid 29.6
    acetyl acetate 3.11
    di(2-ethylhexyl) phthalate 5.97
    ethyl propionate 3.34
    nitromethane 36.26
    1,2-diethoxyethane 3.52
    benzonitrile 2.77
    trioctyl phosphate 4.72
    1-bromopropane 2.01
    gamma-valerolactone 32.09
    n-decanol 2.74
    triethyl phosphate 4.93
    4-methyl-2-pentanol 3.18
    propionitrile 2.13
    vinylene carbonate 14.6
    1,1,2-trichlorotrifluoroethane 76.09
    DMS 5.04
    cumene 1.3
    2-octanol 2.85
    2-hexanone 2.2
    octyl acetate 2.44
    limonene 2.31
    1,2-dimethoxyethane 14.41
    ethyl orthosilicate 4.42
    tributyl phosphate 4.9
    diacetone alcohol 11.87
    N,N-dimethylaniline 3.01
    acrylonitrile 4.37
    aniline 2.28
    1,3-propanediol 111.2
    bromobenzene 0.71
    dibromomethane 4.26
    1,1,2,2-tetrachloroethane 9.8
    2-methyl-cyclohexyl acetate 5.81
    tetrabutyl urea 7.09
    diisobutyl methanol 2.7
    2-phenylethanol 6.55
    styrene 0.53
    dioctyl adipate 4.07
    dimethyl sulfate 13.41
    ethyl butyrate 3.39
    methyl lactate 19.72
    butyl lactate 11.25
    diethyl carbonate 2.9
    propanediol butyl ether 28.49
    triethyl orthoformate 4.12
    p-tert-butyltoluene 1.86
    methyl 4-tert-butylbenzoate 10.13
    morpholine 9.78
    tert-butylamine 3.02
    n-dodecanol 2.03
    dimethoxymethane 8.16
    ethylene carbonate 11.05
    cyrene 37.16
    2-ethoxyethyl acetate 5.12
    2-ethylhexyl acetate 2.6
    1,2,4-trichlorobenzene 2.98
    4-methylpyridine 1.83
    dibutyl ether 1.31
    2,6-dimethyl-4-heptanol 2.7
    DEF 9.97
    dimethyl isosorbide 28.15
    tetrachloroethylene 10.82
    eugenol 16.1
    triacetin 9.38
    span 80 20.75
    1,4-butanediol 57.84
    1,1-dichloroethane 1.61
    2-methyl-1-pentanol 6.49
    methyl formate 22.57
    2-methyl-1-butanol 9.73
    n-decane 0.41
    butyronitrile 2.05
    3,7-dimethyl-1-octanol 3.66
    1-chlorooctane 1.24
    1-chlorotetradecane 0.54
    n-nonane 0.41
    undecane 0.31
    tert-butylcyclohexane 0.51
    cyclooctane 0.63
    cyclopentanol 13.72
    tetrahydropyran 2.23
    tert-amyl methyl ether 1.68
    2,5,8-trioxanonane 27.35
    1-hexene 1.06
    2-isopropoxyethanol 17.21
    2,2,2-trifluoroethanol 82.83
    methyl butyrate 4.74

    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