Diethylhexyl syringylidenemalonate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    444811-29-4

    Molecular formula
    C28H44O7

    SMILES
    CCCCC(CC)COC(=O)C(=CC1=CC(=C(C(=C1)OC)O)OC)C(=O)OCC(CC)CCCC

    Safety labels

  • Odor profile

    Fragrance
    Herbal 42.28%
    Fruity 42.28%
    Floral 35.6%
    Odorless 34.3%
    Balsamic 33.14%
    Woody 32.13%
    Spicy 28.61%
    Warm 26.19%
    Oily 25.09%
    Jasmin 24.53%

     

    Flavor
    Bitter 35.75%
    Bland 30.34%
    Herbal 24.51%
    Odorless 23.46%
    Parsley 20.52%
    Mild 19.89%
    Heather 19.83%
    Cedarleaf 19.65%
    Lovage 19.64%
    Genet 19.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.1

    pKa est.
    8.67 (weak base)

    Molecular weight
    492.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    601°C

    Flash point

    • 203.96 ˚C est.

  • Synonyms

    • Diethylhexyl syringylidenemalonate
    • Oxynex ST
    • 444811-29-4
    • UNII-3V5U97P248
    • 3V5U97P248
    • Propanedioic acid, ((4-hydroxy-3,5-dimethoxyphenyl)methylene)-, bis(2-ethylhexyl) ester
    • Propanedioic acid, 2-((4-hydroxy-3,5-dimethoxyphenyl)methylene)-, 1,3-bis(2-ethylhexyl) ester
    • Propanedioic acid, 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, 1,3-bis(2-ethylhexyl) ester
    • RefChem:133511
    • (+-)-DIETHYLHEXYL SYRINGYLIDENEMALONATE
    • DIETHYLHEXYL SYRINGYLIDENEMALONATE [INCI]
    • 610-190-2
    • (+/-)-Diethylhexyl syringylidenemalonate
    • bis(2-ethylhexyl) 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]propanedioate
    • SCHEMBL168789
    • NSBAXYINVVKQQI-UHFFFAOYSA-N
    • DTXSID301021563
    • NS00077849
    • Q27258070
    • bis(2-ethylhexyl) 2-(4-hydroxy-3,5-dimethoxybenzylidene)malonate
    • 444811-29-4

  • Applications

    Diethylhexyl syringylidenemalonate (CAS 444811-29-4) is an organic ester used primarily as a reactive monomer or functional diluent in polymer and coating systems, with particular relevance to UV-curable coatings and inks where it can improve crosslinking and flexibility; it can also serve as an intermediate in the synthesis of specialty resins and other organic compounds in industrial manufacturing; it may function as a plasticizer for certain specialty polymers to enhance processability and material flexibility; in addition, it can be used as a component in adhesive formulations and UV-curable adhesive systems; overall, it is mainly considered as a functional component for polymer, coating, and adhesive formulations in industrial settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 153.17
    methanol 116.26
    isopropanol 171.07
    water 0.47
    ethyl acetate 487.94
    n-propanol 198.86
    acetone 888.17
    n-butanol 159.34
    acetonitrile 278.23
    DMF 497.63
    toluene 186.5
    isobutanol 148.76
    1,4-dioxane 441.17
    methyl acetate 515.11
    THF 1049.66
    2-butanone 690.88
    n-pentanol 140.3
    sec-butanol 226.69
    n-hexane 16.98
    ethylene glycol 24.75
    NMP 771.0
    cyclohexane 50.57
    DMSO 1079.86
    n-butyl acetate 175.32
    n-octanol 48.33
    chloroform 1003.26
    n-propyl acetate 218.71
    acetic acid 523.88
    dichloromethane 1102.05
    cyclohexanone 850.97
    propylene glycol 60.74
    isopropyl acetate 284.44
    DMAc 888.8
    2-ethoxyethanol 230.21
    isopentanol 138.12
    n-heptane 7.79
    ethyl formate 216.11
    1,2-dichloroethane 905.34
    n-hexanol 84.37
    2-methoxyethanol 273.77
    isobutyl acetate 127.62
    tetrachloromethane 230.18
    n-pentyl acetate 190.3
    transcutol 398.12
    n-heptanol 60.65
    ethylbenzene 80.37
    MIBK 221.44
    2-propoxyethanol 172.42
    tert-butanol 222.88
    MTBE 260.81
    2-butoxyethanol 142.86
    propionic acid 313.99
    o-xylene 120.92
    formic acid 99.92
    diethyl ether 230.6
    m-xylene 95.61
    p-xylene 118.81
    chlorobenzene 322.02
    dimethyl carbonate 226.15
    n-octane 5.88
    formamide 209.56
    cyclopentanone 1057.3
    2-pentanone 453.07
    anisole 158.77
    cyclopentyl methyl ether 312.73
    gamma-butyrolactone 930.04
    1-methoxy-2-propanol 224.84
    pyridine 493.93
    3-pentanone 423.04
    furfural 506.2
    n-dodecane 4.41
    diethylene glycol 103.89
    diisopropyl ether 64.74
    tert-amyl alcohol 254.84
    acetylacetone 673.97
    n-hexadecane 5.23
    acetophenone 225.79
    methyl propionate 395.39
    isopentyl acetate 169.85
    trichloroethylene 1397.85
    n-nonanol 49.99
    cyclohexanol 225.16
    benzyl alcohol 158.99
    2-ethylhexanol 52.91
    isooctanol 57.96
    dipropyl ether 64.57
    1,2-dichlorobenzene 299.61
    ethyl lactate 110.26
    propylene carbonate 442.41
    n-methylformamide 258.74
    2-pentanol 131.34
    n-pentane 17.36
    1-propoxy-2-propanol 117.53
    1-methoxy-2-propyl acetate 202.71
    2-(2-methoxypropoxy) propanol 131.29
    mesitylene 58.06
    ε-caprolactone 588.97
    p-cymene 41.91
    epichlorohydrin 1083.85
    1,1,1-trichloroethane 933.36
    2-aminoethanol 69.48
    morpholine-4-carbaldehyde 421.35
    sulfolane 1229.06
    2,2,4-trimethylpentane 15.44
    2-methyltetrahydrofuran 593.07
    n-hexyl acetate 173.35
    isooctane 6.87
    2-(2-butoxyethoxy)ethanol 165.07
    sec-butyl acetate 162.01
    tert-butyl acetate 287.88
    decalin 19.91
    glycerin 76.34
    diglyme 312.64
    acrylic acid 253.26
    isopropyl myristate 59.13
    n-butyric acid 358.63
    acetyl acetate 401.13
    di(2-ethylhexyl) phthalate 76.08
    ethyl propionate 214.13
    nitromethane 977.85
    1,2-diethoxyethane 170.67
    benzonitrile 184.62
    trioctyl phosphate 54.72
    1-bromopropane 392.34
    gamma-valerolactone 852.03
    n-decanol 35.34
    triethyl phosphate 86.06
    4-methyl-2-pentanol 67.07
    propionitrile 216.18
    vinylene carbonate 346.2
    1,1,2-trichlorotrifluoroethane 590.49
    DMS 221.66
    cumene 51.14
    2-octanol 48.22
    2-hexanone 248.14
    octyl acetate 88.0
    limonene 62.72
    1,2-dimethoxyethane 322.7
    ethyl orthosilicate 75.65
    tributyl phosphate 67.01
    diacetone alcohol 302.27
    N,N-dimethylaniline 100.93
    acrylonitrile 251.94
    aniline 203.21
    1,3-propanediol 135.16
    bromobenzene 335.68
    dibromomethane 691.18
    1,1,2,2-tetrachloroethane 1155.98
    2-methyl-cyclohexyl acetate 117.84
    tetrabutyl urea 91.84
    diisobutyl methanol 36.21
    2-phenylethanol 113.15
    styrene 102.35
    dioctyl adipate 109.21
    dimethyl sulfate 432.69
    ethyl butyrate 132.82
    methyl lactate 172.28
    butyl lactate 125.82
    diethyl carbonate 102.86
    propanediol butyl ether 102.51
    triethyl orthoformate 91.23
    p-tert-butyltoluene 39.38
    methyl 4-tert-butylbenzoate 169.83
    morpholine 491.31
    tert-butylamine 105.37
    n-dodecanol 26.39
    dimethoxymethane 346.17
    ethylene carbonate 320.24
    cyrene 183.96
    2-ethoxyethyl acetate 280.59
    2-ethylhexyl acetate 127.54
    1,2,4-trichlorobenzene 389.21
    4-methylpyridine 394.85
    dibutyl ether 63.35
    2,6-dimethyl-4-heptanol 36.21
    DEF 376.97
    dimethyl isosorbide 239.79
    tetrachloroethylene 664.68
    eugenol 146.15
    triacetin 222.66
    span 80 116.99
    1,4-butanediol 70.21
    1,1-dichloroethane 801.38
    2-methyl-1-pentanol 143.97
    methyl formate 246.87
    2-methyl-1-butanol 154.74
    n-decane 7.58
    butyronitrile 183.22
    3,7-dimethyl-1-octanol 52.77
    1-chlorooctane 45.89
    1-chlorotetradecane 18.52
    n-nonane 6.65
    undecane 5.54
    tert-butylcyclohexane 14.49
    cyclooctane 13.05
    cyclopentanol 295.08
    tetrahydropyran 501.89
    tert-amyl methyl ether 212.56
    2,5,8-trioxanonane 206.72
    1-hexene 60.64
    2-isopropoxyethanol 170.55
    2,2,2-trifluoroethanol 251.97
    methyl butyrate 271.03

    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