2,3-Dehydromethyllinoleate

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  • Identifiers

    CAS number
    30959-44-5

    Molecular formula
    C19H32O2

    SMILES
    CCCCC/C=C\C/C=C\CCCCC/C=C/C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 85.85%
    Oily 61.1%
    Fruity 49.13%
    Waxy 46.71%
    Green 36.01%
    Citrus 33.79%
    Pear 29.4%
    Fishy 26.74%
    Melon 26.07%
    Dairy 24.69%

     

    Flavor
    Faint 22.74%
    Fatty 22.41%
    Low 19.51%
    Oriental 19.47%
    Diterpene 19.46%
    Delicate 19.14%
    Slightly waxy 18.92%
    Pumpkin 18.88%
    Honeydew 18.14%
    Terpentine 18.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    7.69 (neutral)

    Molecular weight
    292.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    351°C

    Flash point

    • 179.69 ˚C est.

  • Synonyms

    • 2,3-Dehydromethyllinoleate
    • 30959-44-5
    • RefChem:81522
    • 2,9,12-Octadecatrienoic acid, methyl ester, (E,Z,Z)-
    • methyl (2E,9Z,12Z)-octadeca-2,9,12-trienoate
    • 30959-44-5

  • Applications

    2,3-Dehydromethyllinoleate, CAS 30959-44-5, is typically used as an intermediate in organic synthesis for specialty chemicals and polymers; it can function as a plasticizer or processing aid in formulations for polymers or coatings; in cosmetics and personal care, it may serve as an emollient or conditioning ester; in coatings and inks, it can act as a solvent or carrier to improve texture and pigment dispersion; its use is formulation-dependent and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 317.9
    methanol 273.52
    isopropanol 269.15
    water 0.01
    ethyl acetate 779.72
    n-propanol 309.43
    acetone 677.05
    n-butanol 316.46
    acetonitrile 184.07
    DMF 567.66
    toluene 287.94
    isobutanol 222.76
    1,4-dioxane 781.46
    methyl acetate 385.25
    THF 1648.47
    2-butanone 713.22
    n-pentanol 256.8
    sec-butanol 320.76
    n-hexane 56.38
    ethylene glycol 9.04
    NMP 667.02
    cyclohexane 222.21
    DMSO 892.82
    n-butyl acetate 518.08
    n-octanol 89.51
    chloroform 1317.09
    n-propyl acetate 627.52
    acetic acid 163.56
    dichloromethane 1647.86
    cyclohexanone 1294.45
    propylene glycol 38.8
    isopropyl acetate 534.17
    DMAc 818.3
    2-ethoxyethanol 426.99
    isopentanol 321.39
    n-heptane 34.39
    ethyl formate 227.26
    1,2-dichloroethane 1321.73
    n-hexanol 190.13
    2-methoxyethanol 493.64
    isobutyl acetate 355.27
    tetrachloromethane 215.13
    n-pentyl acetate 407.76
    transcutol 1949.02
    n-heptanol 101.23
    ethylbenzene 162.69
    MIBK 501.69
    2-propoxyethanol 391.29
    tert-butanol 392.22
    MTBE 668.42
    2-butoxyethanol 270.38
    propionic acid 160.64
    o-xylene 181.53
    formic acid 26.87
    diethyl ether 802.8
    m-xylene 184.81
    p-xylene 197.03
    chlorobenzene 374.74
    dimethyl carbonate 104.87
    n-octane 13.95
    formamide 66.85
    cyclopentanone 1095.19
    2-pentanone 787.1
    anisole 354.53
    cyclopentyl methyl ether 841.71
    gamma-butyrolactone 819.61
    1-methoxy-2-propanol 458.53
    pyridine 724.24
    3-pentanone 515.85
    furfural 563.4
    n-dodecane 8.54
    diethylene glycol 128.68
    diisopropyl ether 196.63
    tert-amyl alcohol 394.74
    acetylacetone 707.96
    n-hexadecane 10.57
    acetophenone 369.42
    methyl propionate 435.13
    isopentyl acetate 484.74
    trichloroethylene 1810.26
    n-nonanol 91.93
    cyclohexanol 407.09
    benzyl alcohol 218.78
    2-ethylhexanol 157.81
    isooctanol 109.3
    dipropyl ether 356.52
    1,2-dichlorobenzene 375.48
    ethyl lactate 154.84
    propylene carbonate 403.73
    n-methylformamide 171.46
    2-pentanol 257.32
    n-pentane 44.18
    1-propoxy-2-propanol 352.99
    1-methoxy-2-propyl acetate 497.97
    2-(2-methoxypropoxy) propanol 260.16
    mesitylene 124.28
    ε-caprolactone 900.52
    p-cymene 90.74
    epichlorohydrin 1410.0
    1,1,1-trichloroethane 937.39
    2-aminoethanol 53.9
    morpholine-4-carbaldehyde 630.16
    sulfolane 1107.12
    2,2,4-trimethylpentane 33.82
    2-methyltetrahydrofuran 1282.95
    n-hexyl acetate 399.99
    isooctane 23.34
    2-(2-butoxyethoxy)ethanol 405.35
    sec-butyl acetate 446.14
    tert-butyl acetate 627.47
    decalin 64.32
    glycerin 52.06
    diglyme 936.46
    acrylic acid 91.54
    isopropyl myristate 132.84
    n-butyric acid 454.29
    acetyl acetate 309.76
    di(2-ethylhexyl) phthalate 102.83
    ethyl propionate 500.5
    nitromethane 407.77
    1,2-diethoxyethane 793.5
    benzonitrile 267.61
    trioctyl phosphate 72.23
    1-bromopropane 821.59
    gamma-valerolactone 1249.41
    n-decanol 61.8
    triethyl phosphate 168.9
    4-methyl-2-pentanol 150.72
    propionitrile 241.75
    vinylene carbonate 291.98
    1,1,2-trichlorotrifluoroethane 611.1
    DMS 226.28
    cumene 103.67
    2-octanol 80.68
    2-hexanone 589.12
    octyl acetate 154.88
    limonene 182.12
    1,2-dimethoxyethane 930.69
    ethyl orthosilicate 177.55
    tributyl phosphate 105.08
    diacetone alcohol 515.27
    N,N-dimethylaniline 224.89
    acrylonitrile 214.35
    aniline 262.29
    1,3-propanediol 132.23
    bromobenzene 466.94
    dibromomethane 1061.77
    1,1,2,2-tetrachloroethane 1660.99
    2-methyl-cyclohexyl acetate 327.55
    tetrabutyl urea 161.97
    diisobutyl methanol 111.54
    2-phenylethanol 198.15
    styrene 220.17
    dioctyl adipate 220.85
    dimethyl sulfate 199.65
    ethyl butyrate 452.19
    methyl lactate 124.13
    butyl lactate 228.11
    diethyl carbonate 226.11
    propanediol butyl ether 197.15
    triethyl orthoformate 293.22
    p-tert-butyltoluene 86.53
    methyl 4-tert-butylbenzoate 274.55
    morpholine 1232.72
    tert-butylamine 247.92
    n-dodecanol 45.0
    dimethoxymethane 560.04
    ethylene carbonate 275.4
    cyrene 252.7
    2-ethoxyethyl acetate 521.76
    2-ethylhexyl acetate 382.32
    1,2,4-trichlorobenzene 440.5
    4-methylpyridine 681.22
    dibutyl ether 307.5
    2,6-dimethyl-4-heptanol 111.54
    DEF 778.39
    dimethyl isosorbide 578.8
    tetrachloroethylene 905.9
    eugenol 232.49
    triacetin 365.9
    span 80 239.6
    1,4-butanediol 49.42
    1,1-dichloroethane 1012.74
    2-methyl-1-pentanol 276.74
    methyl formate 106.49
    2-methyl-1-butanol 303.37
    n-decane 18.52
    butyronitrile 371.45
    3,7-dimethyl-1-octanol 125.87
    1-chlorooctane 109.02
    1-chlorotetradecane 33.58
    n-nonane 18.21
    undecane 11.76
    tert-butylcyclohexane 46.0
    cyclooctane 42.51
    cyclopentanol 319.2
    tetrahydropyran 1452.85
    tert-amyl methyl ether 511.15
    2,5,8-trioxanonane 511.34
    1-hexene 237.0
    2-isopropoxyethanol 338.46
    2,2,2-trifluoroethanol 42.62
    methyl butyrate 705.24

    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