Dichlorophenyl imidazoldioxolan

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  • Identifiers

    CAS number
    67914-69-6

    Molecular formula
    C27H30Cl2N4O5

    SMILES
    CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 45.88%
    Grape 30.44%
    Sweet 28.63%
    Floral 25.51%
    Animal 22.87%
    Neroli 21.69%
    Roasted 20.21%
    Fresh 19.46%
    Vanilla 19.39%
    Cooked 19.25%

     

    Flavor
    Bitter 85.95%
    Odorless 26.08%
    Bland 23.06%
    Sweet-like 21.59%
    Cedarleaf 20.04%
    Cereal 19.43%
    Orange flower 19.27%
    Orange blossom 19.19%
    Very strong 19.18%
    Indole 18.99%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    5.17 (weak acid)

    Molecular weight
    561.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1008°C

    Flash point

    • 254.9 ˚C est.

  • Synonyms

    • Elubiol
    • 67914-69-6
    • OristaR DCI
    • Dichlorophenyl imidazoldioxolan
    • CWH03ZH51E
    • EC 428-030-3
    • DTXSID901019176
    • 1-Piperazinecarboxylic acid, 4-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, ethyl ester, rel-
    • 85058-43-1
    • Ethyl cis-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine-1-carboxylate
    • ethyl cis-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate
    • 1-Piperazinecarboxylic acid, 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, ethyl ester, rel-
    • RefChem:586795
    • DTXCID801764695
    • DICHLOROPHENYL IMIDAZOLDIOXOLAN [INCI]
    • 1-PIPERAZINECARBOXYLIC ACID, 4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)-, ETHYL ESTER, CIS-DICHLOROPHENYL IMIDAZOLDIOXOLAN
    • 428-030-3
    • 614-165-7
    • (+/-)-Dichlorophenyl imidazoldioxolan
    • Dichlorophenyl imidazoldioxolan, (+/-)-
    • ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate
    • rel-Ethyl 4-(4-(((2R,4S)-2-((1H-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine-1-carboxylate
    • 1-Piperazinecarboxylic acid, 4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, ethyl ester, cis- dichlorophenyl imidazoldioxolan
    • UNII-CWH03ZH51E
    • C27H30Cl2N4O5
    • orb1304101
    • SCHEMBL14879570
    • SCHEMBL29372781
    • VEVFSWCSRVJBSM-HOFKKMOUSA-N
    • MFCD18910610
    • MSK169723
    • s5230
    • AKOS015901184
    • CCG-270052
    • DS-19618
    • HY-121069
    • CS-0079409
    • NS00013575
    • NS00077727
    • D71061
    • Q27275862
    • Dichlorophenyl imidazoldioxolan; R 41300; ethyl 4-(4-(((2R,4S)-2-((1H-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine-1-carboxylate
    • Ethyl 4-[4-({(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazine-1-carboxylate
    • 85058-43-1

  • Applications

    Dichlorophenyl imidazoldioxolan is primarily viewed as an organic synthesis intermediate or specialty precursor, used to build a range of other compounds in chemical manufacturing. It may serve as a solvent or processing aid in industrial production, and can function as a stabilizer or additive in polymers and plastics to improve processability and performance. It is also considered as a component for coatings and inks, or as a precursor in the preparation of other specialty chemicals. Actual usage depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.47
    methanol 11.57
    isopropanol 3.33
    water 0.02
    ethyl acetate 11.39
    n-propanol 12.99
    acetone 11.93
    n-butanol 7.87
    acetonitrile 8.38
    DMF 53.12
    toluene 7.93
    isobutanol 6.82
    1,4-dioxane 21.49
    methyl acetate 15.31
    THF 45.43
    2-butanone 24.0
    n-pentanol 7.77
    sec-butanol 7.33
    n-hexane 0.07
    ethylene glycol 3.86
    NMP 79.16
    cyclohexane 0.23
    DMSO 29.67
    n-butyl acetate 5.55
    n-octanol 3.94
    chloroform 359.72
    n-propyl acetate 8.21
    acetic acid 31.64
    dichloromethane 348.44
    cyclohexanone 50.8
    propylene glycol 6.7
    isopropyl acetate 5.39
    DMAc 120.89
    2-ethoxyethanol 27.29
    isopentanol 4.75
    n-heptane 0.16
    ethyl formate 17.3
    1,2-dichloroethane 63.69
    n-hexanol 2.99
    2-methoxyethanol 30.19
    isobutyl acetate 4.84
    tetrachloromethane 8.27
    n-pentyl acetate 11.72
    transcutol 27.7
    n-heptanol 4.6
    ethylbenzene 2.32
    MIBK 5.22
    2-propoxyethanol 18.9
    tert-butanol 2.06
    MTBE 2.5
    2-butoxyethanol 18.85
    propionic acid 19.06
    o-xylene 3.23
    formic acid 23.22
    diethyl ether 3.13
    m-xylene 2.76
    p-xylene 3.21
    chlorobenzene 21.27
    dimethyl carbonate 15.8
    n-octane 0.1
    formamide 27.12
    cyclopentanone 58.29
    2-pentanone 11.82
    anisole 8.25
    cyclopentyl methyl ether 10.04
    gamma-butyrolactone 67.84
    1-methoxy-2-propanol 17.42
    pyridine 64.57
    3-pentanone 11.46
    furfural 75.72
    n-dodecane 0.11
    diethylene glycol 12.72
    diisopropyl ether 0.5
    tert-amyl alcohol 4.34
    acetylacetone 17.12
    n-hexadecane 0.13
    acetophenone 14.73
    methyl propionate 17.96
    isopentyl acetate 5.06
    trichloroethylene 266.99
    n-nonanol 4.38
    cyclohexanol 8.9
    benzyl alcohol 16.97
    2-ethylhexanol 2.17
    isooctanol 3.63
    dipropyl ether 2.56
    1,2-dichlorobenzene 20.07
    ethyl lactate 9.53
    propylene carbonate 29.72
    n-methylformamide 33.94
    2-pentanol 2.68
    n-pentane 0.09
    1-propoxy-2-propanol 10.77
    1-methoxy-2-propyl acetate 11.26
    2-(2-methoxypropoxy) propanol 14.38
    mesitylene 0.95
    ε-caprolactone 43.85
    p-cymene 1.36
    epichlorohydrin 106.77
    1,1,1-trichloroethane 28.31
    2-aminoethanol 10.7
    morpholine-4-carbaldehyde 63.83
    sulfolane 62.98
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 20.15
    n-hexyl acetate 9.91
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 17.65
    sec-butyl acetate 4.32
    tert-butyl acetate 4.15
    decalin 0.15
    glycerin 12.34
    diglyme 34.25
    acrylic acid 24.91
    isopropyl myristate 2.86
    n-butyric acid 20.06
    acetyl acetate 10.11
    di(2-ethylhexyl) phthalate 6.73
    ethyl propionate 7.41
    nitromethane 60.89
    1,2-diethoxyethane 8.96
    benzonitrile 18.31
    trioctyl phosphate 3.81
    1-bromopropane 15.76
    gamma-valerolactone 100.83
    n-decanol 2.75
    triethyl phosphate 5.02
    4-methyl-2-pentanol 1.38
    propionitrile 11.16
    vinylene carbonate 43.06
    1,1,2-trichlorotrifluoroethane 113.9
    DMS 10.46
    cumene 1.24
    2-octanol 2.9
    2-hexanone 9.85
    octyl acetate 5.26
    limonene 1.67
    1,2-dimethoxyethane 27.06
    ethyl orthosilicate 4.26
    tributyl phosphate 4.09
    diacetone alcohol 8.77
    N,N-dimethylaniline 5.21
    acrylonitrile 24.55
    aniline 16.47
    1,3-propanediol 11.78
    bromobenzene 23.25
    dibromomethane 116.69
    1,1,2,2-tetrachloroethane 149.66
    2-methyl-cyclohexyl acetate 6.01
    tetrabutyl urea 7.39
    diisobutyl methanol 0.93
    2-phenylethanol 9.43
    styrene 3.53
    dioctyl adipate 7.38
    dimethyl sulfate 28.66
    ethyl butyrate 6.0
    methyl lactate 16.64
    butyl lactate 12.02
    diethyl carbonate 5.14
    propanediol butyl ether 12.91
    triethyl orthoformate 6.13
    p-tert-butyltoluene 1.0
    methyl 4-tert-butylbenzoate 13.52
    morpholine 39.63
    tert-butylamine 0.72
    n-dodecanol 1.74
    dimethoxymethane 26.87
    ethylene carbonate 28.23
    cyrene 26.72
    2-ethoxyethyl acetate 20.98
    2-ethylhexyl acetate 4.49
    1,2,4-trichlorobenzene 32.28
    4-methylpyridine 36.14
    dibutyl ether 2.91
    2,6-dimethyl-4-heptanol 0.93
    DEF 25.99
    dimethyl isosorbide 21.65
    tetrachloroethylene 77.07
    eugenol 16.75
    triacetin 16.22
    span 80 11.87
    1,4-butanediol 7.86
    1,1-dichloroethane 41.75
    2-methyl-1-pentanol 5.94
    methyl formate 25.41
    2-methyl-1-butanol 7.72
    n-decane 0.21
    butyronitrile 8.92
    3,7-dimethyl-1-octanol 2.53
    1-chlorooctane 1.83
    1-chlorotetradecane 0.57
    n-nonane 0.16
    undecane 0.15
    tert-butylcyclohexane 0.09
    cyclooctane 0.08
    cyclopentanol 13.41
    tetrahydropyran 17.29
    tert-amyl methyl ether 3.45
    2,5,8-trioxanonane 22.05
    1-hexene 0.67
    2-isopropoxyethanol 14.13
    2,2,2-trifluoroethanol 18.76
    methyl butyrate 12.38

    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