Tripetroselinin

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  • Identifiers

    CAS number
    3296-43-3

    Molecular formula
    C57H104O6

    SMILES
    CCCCCCCCCCC/C=C\CCCCC(=O)OCC(OC(=O)CCCC/C=C\CCCCCCCCCCC)COC(=O)CCCC/C=C\CCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 70.88%
    Waxy 62.14%
    Oily 57.05%
    Odorless 29.69%
    Sweet 25.87%
    Creamy 22.05%
    Buttery 19.68%
    Dairy 18.51%
    Fishy 17.06%
    Milky 17.02%

     

    Flavor
    Waxy 39.91%
    Fatty 36.05%
    Faint 34.35%
    Mild 32.1%
    Bland 30.51%
    Oily 29.79%
    Slightly waxy 22.81%
    Bay oil 20.84%
    Delicate 20.63%
    Beer 20.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    22.4

    pKa est.
    10.8 (weak base)

    Molecular weight
    885.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    672°C

    Flash point

    • 300.73 ˚C est.

  • Synonyms

    • Glycerol cis-6-octadecenoate
    • Glyceryl tripetroselinate
    • Tripetroselinin
    • TRIPETROSELIN
    • UNII-6078N10P1Z
    • 6078N10P1Z
    • PETROSELINIC ACID TRIGLYCERIDE
    • 6-Octadecenoic acid, 1,2,3-propanetriyl ester, (Z,Z,Z)-
    • 6-OCTADECENOIN, TRI-, (Z,Z,Z)-
    • PETROSELINIC ACID GLYCERYL TRIESTER [MI]
    • 6-OCTADECENOIC ACID, 1,2,3-PROPANETRIYL ESTER, (6Z,6'Z,6''Z)-
    • 6-OCTADECENOIC ACID, 1,1',1''-(1,2,3-PROPANETRIYL) ESTER, (6Z,6'Z,6''Z)-
    • RefChem:191883
    • PETROSELINIC ACID GLYCERYL TRIESTER
    • 3296-43-3
    • 1,2,3-TRI[CIS-6-OCTADECENOYL]GLYCEROL
    • 2,3-bis[[(Z)-octadec-6-enoyl]oxy]propyl (Z)-octadec-6-enoate
    • PETROSELININ
    • orb2283056
    • SCHEMBL12919817
    • glycerol tri-cis-6-octadecenoate
    • SEMJUQWPYRYUOY-ISKMNAODSA-N
    • DTXSID501316996
    • MFCD00135909
    • PD126718
    • HY-170632
    • Q27263183
    • Propane-1,2,3-triyl (6Z,6'Z,6''Z)tri-octadec-6-enoate
    • Propane-1,2,3-triyl (6Z,6'Z,6''Z)-tris(octadec-6-enoate)
    • 3296-43-3

  • Applications

    Tripetroselinin (CAS 3296-43-3) may have a range of practical applications across multiple industries. It can serve as an intermediate in organic synthesis, a solvent or co-solvent in manufacturing processes, and a stabilizer or plasticizer in polymer formulations. In fragrance and cosmetics, it may be evaluated as an odorant or fixative for perfumery and as a component in cosmetic/personal care formulations. It may also be considered for use in cleaning formulations and in coatings/inks as a processing aid, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.63
    methanol 7.23
    isopropanol 7.9
    water 0.11
    ethyl acetate 113.43
    n-propanol 13.36
    acetone 71.39
    n-butanol 13.74
    acetonitrile 25.14
    DMF 122.74
    toluene 58.31
    isobutanol 12.9
    1,4-dioxane 85.72
    methyl acetate 86.58
    THF 207.19
    2-butanone 101.05
    n-pentanol 17.53
    sec-butanol 19.47
    n-hexane 12.54
    ethylene glycol 1.3
    NMP 476.6
    cyclohexane 27.52
    DMSO 128.7
    n-butyl acetate 80.57
    n-octanol 23.69
    chloroform 329.22
    n-propyl acetate 100.47
    acetic acid 52.51
    dichloromethane 322.22
    cyclohexanone 253.59
    propylene glycol 3.93
    isopropyl acetate 93.58
    DMAc 387.33
    2-ethoxyethanol 40.32
    isopentanol 15.94
    n-heptane 9.0
    ethyl formate 48.81
    1,2-dichloroethane 176.48
    n-hexanol 14.1
    2-methoxyethanol 30.43
    isobutyl acetate 61.12
    tetrachloromethane 80.23
    n-pentyl acetate 142.02
    transcutol 181.85
    n-heptanol 19.24
    ethylbenzene 43.55
    MIBK 66.97
    2-propoxyethanol 40.21
    tert-butanol 15.55
    MTBE 53.92
    2-butoxyethanol 57.04
    propionic acid 44.95
    o-xylene 63.48
    formic acid 11.48
    diethyl ether 44.03
    m-xylene 44.07
    p-xylene 60.16
    chlorobenzene 108.0
    dimethyl carbonate 69.66
    n-octane 6.09
    formamide 21.55
    cyclopentanone 285.9
    2-pentanone 92.12
    anisole 76.21
    cyclopentyl methyl ether 134.76
    gamma-butyrolactone 326.47
    1-methoxy-2-propanol 38.73
    pyridine 129.39
    3-pentanone 115.06
    furfural 214.56
    n-dodecane 3.47
    diethylene glycol 14.22
    diisopropyl ether 25.77
    tert-amyl alcohol 33.43
    acetylacetone 157.75
    n-hexadecane 4.17
    acetophenone 122.34
    methyl propionate 111.69
    isopentyl acetate 78.97
    trichloroethylene 403.97
    n-nonanol 26.17
    cyclohexanol 41.6
    benzyl alcohol 37.55
    2-ethylhexanol 19.66
    isooctanol 21.72
    dipropyl ether 49.77
    1,2-dichlorobenzene 153.44
    ethyl lactate 51.46
    propylene carbonate 194.18
    n-methylformamide 43.93
    2-pentanol 16.75
    n-pentane 7.38
    1-propoxy-2-propanol 47.92
    1-methoxy-2-propyl acetate 103.33
    2-(2-methoxypropoxy) propanol 76.89
    mesitylene 32.89
    ε-caprolactone 270.89
    p-cymene 30.36
    epichlorohydrin 271.96
    1,1,1-trichloroethane 269.77
    2-aminoethanol 4.75
    morpholine-4-carbaldehyde 210.6
    sulfolane 551.96
    2,2,4-trimethylpentane 10.89
    2-methyltetrahydrofuran 172.44
    n-hexyl acetate 126.8
    isooctane 3.95
    2-(2-butoxyethoxy)ethanol 74.09
    sec-butyl acetate 87.2
    tert-butyl acetate 119.29
    decalin 19.07
    glycerin 7.74
    diglyme 180.84
    acrylic acid 38.71
    isopropyl myristate 41.72
    n-butyric acid 76.32
    acetyl acetate 112.84
    di(2-ethylhexyl) phthalate 44.86
    ethyl propionate 114.79
    nitromethane 147.01
    1,2-diethoxyethane 99.23
    benzonitrile 54.9
    trioctyl phosphate 29.75
    1-bromopropane 95.22
    gamma-valerolactone 328.93
    n-decanol 16.45
    triethyl phosphate 77.81
    4-methyl-2-pentanol 13.1
    propionitrile 31.9
    vinylene carbonate 159.83
    1,1,2-trichlorotrifluoroethane 189.38
    DMS 110.91
    cumene 31.96
    2-octanol 20.41
    2-hexanone 93.16
    octyl acetate 55.48
    limonene 49.63
    1,2-dimethoxyethane 99.56
    ethyl orthosilicate 70.77
    tributyl phosphate 42.65
    diacetone alcohol 81.52
    N,N-dimethylaniline 70.56
    acrylonitrile 37.82
    aniline 45.88
    1,3-propanediol 8.95
    bromobenzene 137.92
    dibromomethane 186.46
    1,1,2,2-tetrachloroethane 386.07
    2-methyl-cyclohexyl acetate 91.88
    tetrabutyl urea 68.17
    diisobutyl methanol 15.3
    2-phenylethanol 31.45
    styrene 47.19
    dioctyl adipate 80.49
    dimethyl sulfate 180.94
    ethyl butyrate 102.77
    methyl lactate 51.0
    butyl lactate 87.71
    diethyl carbonate 70.57
    propanediol butyl ether 40.0
    triethyl orthoformate 95.2
    p-tert-butyltoluene 28.31
    methyl 4-tert-butylbenzoate 139.43
    morpholine 98.82
    tert-butylamine 11.84
    n-dodecanol 11.35
    dimethoxymethane 74.72
    ethylene carbonate 133.79
    cyrene 107.55
    2-ethoxyethyl acetate 167.17
    2-ethylhexyl acetate 76.25
    1,2,4-trichlorobenzene 199.87
    4-methylpyridine 125.6
    dibutyl ether 59.48
    2,6-dimethyl-4-heptanol 15.3
    DEF 151.73
    dimethyl isosorbide 173.4
    tetrachloroethylene 217.49
    eugenol 87.69
    triacetin 190.83
    span 80 64.52
    1,4-butanediol 6.44
    1,1-dichloroethane 159.66
    2-methyl-1-pentanol 24.07
    methyl formate 41.01
    2-methyl-1-butanol 20.77
    n-decane 8.11
    butyronitrile 29.46
    3,7-dimethyl-1-octanol 25.51
    1-chlorooctane 37.18
    1-chlorotetradecane 11.69
    n-nonane 7.66
    undecane 4.88
    tert-butylcyclohexane 13.09
    cyclooctane 12.85
    cyclopentanol 43.87
    tetrahydropyran 117.0
    tert-amyl methyl ether 74.74
    2,5,8-trioxanonane 109.94
    1-hexene 27.86
    2-isopropoxyethanol 37.78
    2,2,2-trifluoroethanol 41.82
    methyl butyrate 138.8

    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