Pentadecanoin-3,3-d2, tri-

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  • Identifiers

    CAS number
    30719-27-8

    Molecular formula
    C48H92O6

    SMILES
    [2H]C([2H])(CCCCCCCCCCCC)CC(=O)OCC(COC(=O)CC([2H])([2H])CCCCCCCCCCCC)OC(=O)CC([2H])([2H])CCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 56.54%
    Fatty 41.43%
    Odorless 36.87%
    Oily 36.54%
    Woody 31.09%
    Balsamic 26.45%
    Sweet 21.15%
    Amber 20.81%
    Animal 20.48%
    Fresh 19.79%

     

    Flavor
    Bland 42.98%
    Odorless 35.43%
    Mild 34.2%
    Faint 24.59%
    Slightly waxy 21.39%
    Bay oil 20.15%
    Delicate 20.13%
    Beer 19.78%
    Sandalwood 19.61%
    Sweet-like 19.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    20.3

    pKa est.
    21.87 (strong base)

    Molecular weight
    771.3 g/mol

    Flash point

    • 291.12 ˚C est.

  • Synonyms

    • Pentadecanoin-3,3-d2, tri-
    • 30719-27-8
    • RefChem:367977
    • DTXSID301311164
    • Propane-1,2,3-triyl tri(3,3-~2~H_2_)pentadecanoate
    • 30719-27-8

  • Applications

    Pentadecanoin-3,3-d2, tri- (CAS 30719-27-8) is a deuterated long-chain lipid-like compound that can serve as a non-polar carrier oil and formulation component in cosmetics and personal care; in polymer and plastics processing, it may act as a plasticizer or slip agent to improve processing of lipid-based blends; the deuterated variant is commonly used as an internal standard for lipid analysis by GC-MS or LC-MS, supporting method development and quality control in pharmaceutical and research settings; in fragrance applications, it may be evaluated as a carrier oil or solvent for volatile components; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.77
    methanol 20.99
    isopropanol 16.53
    water 0.46
    ethyl acetate 123.35
    n-propanol 25.57
    acetone 107.36
    n-butanol 22.37
    acetonitrile 39.06
    DMF 185.51
    toluene 43.71
    isobutanol 20.81
    1,4-dioxane 97.71
    methyl acetate 110.39
    THF 238.52
    2-butanone 129.02
    n-pentanol 23.67
    sec-butanol 29.91
    n-hexane 8.1
    ethylene glycol 3.83
    NMP 573.46
    cyclohexane 16.4
    DMSO 219.06
    n-butyl acetate 78.02
    n-octanol 24.28
    chloroform 304.63
    n-propyl acetate 105.39
    acetic acid 108.41
    dichloromethane 337.41
    cyclohexanone 259.49
    propylene glycol 9.72
    isopropyl acetate 100.12
    DMAc 483.47
    2-ethoxyethanol 65.21
    isopentanol 22.21
    n-heptane 5.41
    ethyl formate 67.11
    1,2-dichloroethane 185.09
    n-hexanol 16.11
    2-methoxyethanol 64.46
    isobutyl acetate 57.03
    tetrachloromethane 69.87
    n-pentyl acetate 126.36
    transcutol 272.39
    n-heptanol 21.48
    ethylbenzene 31.21
    MIBK 68.56
    2-propoxyethanol 54.95
    tert-butanol 25.19
    MTBE 57.27
    2-butoxyethanol 74.35
    propionic acid 75.42
    o-xylene 48.41
    formic acid 34.44
    diethyl ether 45.71
    m-xylene 31.35
    p-xylene 43.81
    chlorobenzene 81.89
    dimethyl carbonate 81.89
    n-octane 3.88
    formamide 62.0
    cyclopentanone 314.53
    2-pentanone 105.01
    anisole 62.66
    cyclopentyl methyl ether 117.15
    gamma-butyrolactone 394.94
    1-methoxy-2-propanol 64.13
    pyridine 128.43
    3-pentanone 122.39
    furfural 258.51
    n-dodecane 2.22
    diethylene glycol 25.15
    diisopropyl ether 22.87
    tert-amyl alcohol 42.89
    acetylacetone 184.12
    n-hexadecane 2.6
    acetophenone 111.06
    methyl propionate 130.06
    isopentyl acetate 73.15
    trichloroethylene 394.18
    n-nonanol 25.16
    cyclohexanol 45.63
    benzyl alcohol 41.6
    2-ethylhexanol 17.56
    isooctanol 21.47
    dipropyl ether 39.95
    1,2-dichlorobenzene 120.94
    ethyl lactate 63.62
    propylene carbonate 231.96
    n-methylformamide 83.98
    2-pentanol 21.39
    n-pentane 5.32
    1-propoxy-2-propanol 57.04
    1-methoxy-2-propyl acetate 107.81
    2-(2-methoxypropoxy) propanol 83.21
    mesitylene 22.52
    ε-caprolactone 291.62
    p-cymene 20.73
    epichlorohydrin 296.12
    1,1,1-trichloroethane 226.18
    2-aminoethanol 12.44
    morpholine-4-carbaldehyde 270.31
    sulfolane 652.96
    2,2,4-trimethylpentane 7.11
    2-methyltetrahydrofuran 171.24
    n-hexyl acetate 114.27
    isooctane 2.64
    2-(2-butoxyethoxy)ethanol 94.62
    sec-butyl acetate 84.46
    tert-butyl acetate 124.25
    decalin 11.57
    glycerin 20.24
    diglyme 223.87
    acrylic acid 69.78
    isopropyl myristate 34.46
    n-butyric acid 109.91
    acetyl acetate 126.22
    di(2-ethylhexyl) phthalate 42.75
    ethyl propionate 115.21
    nitromethane 258.91
    1,2-diethoxyethane 96.24
    benzonitrile 50.54
    trioctyl phosphate 27.96
    1-bromopropane 80.34
    gamma-valerolactone 413.79
    n-decanol 15.38
    triethyl phosphate 69.29
    4-methyl-2-pentanol 14.62
    propionitrile 38.84
    vinylene carbonate 194.08
    1,1,2-trichlorotrifluoroethane 259.99
    DMS 111.2
    cumene 23.18
    2-octanol 19.85
    2-hexanone 92.36
    octyl acetate 47.7
    limonene 35.93
    1,2-dimethoxyethane 124.32
    ethyl orthosilicate 62.56
    tributyl phosphate 40.83
    diacetone alcohol 103.99
    N,N-dimethylaniline 54.94
    acrylonitrile 51.11
    aniline 48.23
    1,3-propanediol 20.97
    bromobenzene 95.09
    dibromomethane 179.46
    1,1,2,2-tetrachloroethane 375.68
    2-methyl-cyclohexyl acetate 82.02
    tetrabutyl urea 63.39
    diisobutyl methanol 12.72
    2-phenylethanol 31.71
    styrene 34.85
    dioctyl adipate 72.5
    dimethyl sulfate 220.8
    ethyl butyrate 90.0
    methyl lactate 74.5
    butyl lactate 97.65
    diethyl carbonate 62.21
    propanediol butyl ether 61.09
    triethyl orthoformate 81.35
    p-tert-butyltoluene 19.69
    methyl 4-tert-butylbenzoate 137.42
    morpholine 132.04
    tert-butylamine 15.94
    n-dodecanol 10.0
    dimethoxymethane 101.49
    ethylene carbonate 162.71
    cyrene 119.14
    2-ethoxyethyl acetate 181.48
    2-ethylhexyl acetate 66.72
    1,2,4-trichlorobenzene 166.62
    4-methylpyridine 115.15
    dibutyl ether 45.54
    2,6-dimethyl-4-heptanol 12.72
    DEF 164.88
    dimethyl isosorbide 186.46
    tetrachloroethylene 225.21
    eugenol 93.03
    triacetin 205.8
    span 80 67.12
    1,4-butanediol 12.37
    1,1-dichloroethane 148.94
    2-methyl-1-pentanol 27.39
    methyl formate 74.84
    2-methyl-1-butanol 28.05
    n-decane 5.15
    butyronitrile 34.69
    3,7-dimethyl-1-octanol 22.81
    1-chlorooctane 27.26
    1-chlorotetradecane 8.26
    n-nonane 4.81
    undecane 3.14
    tert-butylcyclohexane 8.01
    cyclooctane 7.11
    cyclopentanol 58.09
    tetrahydropyran 111.62
    tert-amyl methyl ether 72.06
    2,5,8-trioxanonane 128.17
    1-hexene 22.09
    2-isopropoxyethanol 52.77
    2,2,2-trifluoroethanol 80.77
    methyl butyrate 143.26

    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