Doconexent

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  • Identifiers

    CAS number
    25167-62-8

    Molecular formula
    C22H32O2

    SMILES
    CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 74.69%
    Oily 56.09%
    Fishy 31.43%
    Green 28.63%
    Waxy 28.61%
    Woody 24.65%
    Fruity 24.64%
    Sweet 23.47%
    Citrus 22.85%
    Herbal 22.44%

     

    Flavor
    Oriental 18.49%
    Faint 17.7%
    Pumpkin 17.43%
    Nitrile 17.37%
    Diterpene 17.13%
    Delicate 16.83%
    Low 16.8%
    Terpentine 16.5%
    Honeydew 16.48%
    Formyl 16.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    8.63 (weak base)

    Molecular weight
    328.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    218°C

    Flash point

    • 272.68 ˚C est.

  • Synonyms

    • Doconexent
    • Doconexento
    • Doconexentum
    • Doxonexent
    • AquaGrow Advantage
    • Martek DHA HM
    • Ropufa 60
    • Monolife 50
    • CCRIS 7670
    • UNII-ZAD9OKH9JC
    • ZAD9OKH9JC
    • Doconexentum [INN-Latin]
    • Doconexento [INN-Spanish]
    • C22:6 (n-3)
    • 22:6 n-3
    • CHEBI:28125
    • Doconexentum (INN-Latin)
    • Doconexento (INN-Spanish)
    • Complete Natal DHA
    • WesNatal DHA Complete
    • RefChem:34997
    • OBTREX DHA Combo Pack
    • Obstetrix DHA Combo Pack
    • Select-OB Plus DHAPrenatal Supplement Plus DHA
    • Vitafol-OB Plus DHAPrenatal Supplement Plus DHA
    • 22:6
    • 25167-62-8
    • CHEBI:36005
    • Docosahexaenoic Acid
    • DTXSID401018161
    • RefChem:5773
    • Retriacyl (proposed trade name)
    • Cervonic acid
    • 6217-54-5
    • cis-4,7,10,13,16,19-Docosahexaenoic acid
    • (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
    • Docosahexaenoate
    • all-cis-DHA
    • all-Z-Docosahexaenoic acid
    • Doconexent [INN]
    • all-cis-4,7,10,13,16,19-Docosahexaenoic acid
    • MFCD00065722
    • (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
    • Algal DHA
    • Docosaheaenoic-acid
    • Docosahexaenoic acid (all-Z)
    • all-cis-docosa-4,7,10,13,16,19-hexaenoic acid
    • (all-Z)-4,7,10,13,16,19-Docosahexaenoic acid
    • DOCOSAHEXANOIC ACID
    • FA 22:6
    • (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoic acid
    • 4,7,10,13,16,19-Docosahexaenoic acid, (all-Z)-
    • CHEMBL367149
    • DTXSID5040465
    • 22:6(n-3)
    • delta4,7,10,13,16,19-Docosahexaenoic acid
    • 4-cis,7-cis,10-cis,13-cis,16-cis,19-cis-Docosahexaenoic acid
    • 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid
    • Docosahexaenoic acid (c22:6 n3)
    • efalex
    • NCGC00161345-04
    • DOCOSAHEXAENOIC ACID (22:6 n-3)
    • cis-4,7,10,13,16,19-Docosahexanoic acid
    • DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID
    • A320050000
    • C22:6n-3,6,9,12,15,18
    • Marinol D 50TG
    • 4,7,10,13,16,19-Docosahexaenoic acid, (4Z,7Z,10Z,13Z,16Z,19Z)-
    • SR-05000002130
    • Cervonate
    • Cervonic AcidDHA
    • 1fdq
    • Docohexanenoic Acid
    • Docosahexanenoic acid
    • all-Z-Docosahexaenoate
    • DHA/Docosahexaenoic acid
    • Spectrum5_002062
    • Docosahexaenoic acid (6CI)
    • SCHEMBL19577
    • BSPBio_001298
    • MLS004773950
    • BML3-B02
    • GTPL1051
    • Docosahexaenoic acid (Standard)
    • DTXCID3020465
    • BCBcMAP01_000145
    • HY-B2167R
    • DOCOSAHEXAENOIC ACID [MI]
    • HMS1361A20
    • HMS1791A20
    • HMS1989A20
    • HMS3402A20
    • HMS3649J15
    • HMS5085D04
    • Docosahexaenoic Acid; Cervonic Acid
    • HY-B2167
    • DOCOSAHEXAENOIC ACID [VANDF]
    • Tox21_111992
    • BDBM50210259
    • DOCOSAHEXAENOIC ACID [MART.]
    • EBC-26606
    • LMFA01030185
    • DOCOSAHEXAENOIC ACID [USP-RS]
    • DOCOSAHEXAENOIC ACID [WHO-DD]
    • AKOS015962159
    • AC-1010
    • CCG-207958
    • CCG-208135
    • CS-6261
    • DB03756
    • FD01734
    • KL-0761
    • IDI1_033768
    • 4,7,10,13,16,19-Docosahexaenoate
    • NCGC00161345-01
    • NCGC00161345-02
    • NCGC00161345-03
    • NCGC00161345-05
    • NCGC00161345-07
    • all cis- Docosahexaenoic acid (cis-DHA)
    • BP-29833
    • SMR001881493
    • SY014871
    • 2,5,8,11,14,17-docosahexaenoic acid
    • CAS-6217-54-5
    • cis-4,7,10,13,16,19-Docosahexanoate
    • D2226
    • 6217-54-5

  • Applications

    Doconexent (CAS 25167-62-8) is typically used as an intermediate in organic synthesis and may serve as a solvent or processing aid in industrial manufacturing. It can function as a stabilizer or plasticizer in certain polymers and is used as a processing additive in coatings, inks, and adhesives. In product formulations, it may act as a solvent or solubilizer in cosmetics or household care products, and it may serve as a surfactant or chelating agent in cleaning formulations, depending on regulatory requirements and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.04
    methanol 3.25
    isopropanol 2.87
    water 0.01
    ethyl acetate 10.24
    n-propanol 3.66
    acetone 10.87
    n-butanol 4.71
    acetonitrile 2.14
    DMF 27.36
    toluene 7.62
    isobutanol 3.25
    1,4-dioxane 18.42
    methyl acetate 7.75
    THF 111.88
    2-butanone 15.13
    n-pentanol 6.83
    sec-butanol 4.93
    n-hexane 3.79
    ethylene glycol 0.24
    NMP 71.0
    cyclohexane 5.63
    DMSO 56.71
    n-butyl acetate 20.11
    n-octanol 7.34
    chloroform 49.91
    n-propyl acetate 19.85
    acetic acid 4.65
    dichloromethane 54.23
    cyclohexanone 46.49
    propylene glycol 1.19
    isopropyl acetate 13.06
    DMAc 98.24
    2-ethoxyethanol 15.0
    isopentanol 6.86
    n-heptane 3.6
    ethyl formate 5.46
    1,2-dichloroethane 36.04
    n-hexanol 7.08
    2-methoxyethanol 11.47
    isobutyl acetate 16.18
    tetrachloromethane 8.71
    n-pentyl acetate 23.92
    transcutol 111.82
    n-heptanol 6.91
    ethylbenzene 9.46
    MIBK 18.77
    2-propoxyethanol 19.3
    tert-butanol 7.86
    MTBE 15.93
    2-butoxyethanol 20.65
    propionic acid 4.59
    o-xylene 8.84
    formic acid 1.15
    diethyl ether 8.83
    m-xylene 7.35
    p-xylene 11.86
    chlorobenzene 12.15
    dimethyl carbonate 4.98
    n-octane 1.9
    formamide 2.39
    cyclopentanone 57.57
    2-pentanone 16.08
    anisole 20.12
    cyclopentyl methyl ether 35.16
    gamma-butyrolactone 46.48
    1-methoxy-2-propanol 15.74
    pyridine 20.41
    3-pentanone 14.77
    furfural 31.62
    n-dodecane 1.24
    diethylene glycol 6.03
    diisopropyl ether 6.77
    tert-amyl alcohol 10.77
    acetylacetone 23.8
    n-hexadecane 1.45
    acetophenone 26.47
    methyl propionate 10.07
    isopentyl acetate 23.28
    trichloroethylene 57.23
    n-nonanol 8.85
    cyclohexanol 9.02
    benzyl alcohol 9.97
    2-ethylhexanol 9.44
    isooctanol 8.47
    dipropyl ether 21.12
    1,2-dichlorobenzene 17.37
    ethyl lactate 11.24
    propylene carbonate 24.99
    n-methylformamide 5.06
    2-pentanol 4.81
    n-pentane 1.67
    1-propoxy-2-propanol 22.81
    1-methoxy-2-propyl acetate 29.32
    2-(2-methoxypropoxy) propanol 33.54
    mesitylene 6.83
    ε-caprolactone 39.24
    p-cymene 9.18
    epichlorohydrin 58.6
    1,1,1-trichloroethane 29.89
    2-aminoethanol 1.25
    morpholine-4-carbaldehyde 43.32
    sulfolane 104.95
    2,2,4-trimethylpentane 3.1
    2-methyltetrahydrofuran 46.84
    n-hexyl acetate 26.69
    isooctane 1.73
    2-(2-butoxyethoxy)ethanol 37.8
    sec-butyl acetate 18.18
    tert-butyl acetate 27.09
    decalin 5.71
    glycerin 2.36
    diglyme 82.4
    acrylic acid 3.29
    isopropyl myristate 14.0
    n-butyric acid 10.9
    acetyl acetate 8.5
    di(2-ethylhexyl) phthalate 11.48
    ethyl propionate 16.86
    nitromethane 10.46
    1,2-diethoxyethane 40.79
    benzonitrile 9.48
    trioctyl phosphate 7.8
    1-bromopropane 20.74
    gamma-valerolactone 66.42
    n-decanol 6.14
    triethyl phosphate 20.27
    4-methyl-2-pentanol 5.87
    propionitrile 3.68
    vinylene carbonate 14.83
    1,1,2-trichlorotrifluoroethane 34.1
    DMS 15.59
    cumene 8.89
    2-octanol 6.08
    2-hexanone 24.72
    octyl acetate 14.14
    limonene 14.08
    1,2-dimethoxyethane 44.65
    ethyl orthosilicate 21.74
    tributyl phosphate 11.04
    diacetone alcohol 28.12
    N,N-dimethylaniline 22.61
    acrylonitrile 3.6
    aniline 6.69
    1,3-propanediol 2.75
    bromobenzene 14.97
    dibromomethane 35.17
    1,1,2,2-tetrachloroethane 65.51
    2-methyl-cyclohexyl acetate 31.36
    tetrabutyl urea 20.16
    diisobutyl methanol 9.46
    2-phenylethanol 11.01
    styrene 9.38
    dioctyl adipate 24.99
    dimethyl sulfate 16.16
    ethyl butyrate 25.28
    methyl lactate 7.52
    butyl lactate 19.31
    diethyl carbonate 14.66
    propanediol butyl ether 15.95
    triethyl orthoformate 28.19
    p-tert-butyltoluene 8.92
    methyl 4-tert-butylbenzoate 33.96
    morpholine 27.65
    tert-butylamine 6.09
    n-dodecanol 4.5
    dimethoxymethane 19.47
    ethylene carbonate 12.59
    cyrene 34.64
    2-ethoxyethyl acetate 29.03
    2-ethylhexyl acetate 20.72
    1,2,4-trichlorobenzene 22.44
    4-methylpyridine 19.23
    dibutyl ether 23.89
    2,6-dimethyl-4-heptanol 9.46
    DEF 24.91
    dimethyl isosorbide 83.33
    tetrachloroethylene 33.28
    eugenol 26.08
    triacetin 32.99
    span 80 26.41
    1,4-butanediol 1.64
    1,1-dichloroethane 22.12
    2-methyl-1-pentanol 9.98
    methyl formate 3.51
    2-methyl-1-butanol 6.38
    n-decane 2.58
    butyronitrile 5.56
    3,7-dimethyl-1-octanol 10.01
    1-chlorooctane 9.73
    1-chlorotetradecane 3.81
    n-nonane 2.33
    undecane 1.7
    tert-butylcyclohexane 4.86
    cyclooctane 2.21
    cyclopentanol 9.81
    tetrahydropyran 29.57
    tert-amyl methyl ether 19.54
    2,5,8-trioxanonane 57.74
    1-hexene 8.87
    2-isopropoxyethanol 14.82
    2,2,2-trifluoroethanol 2.23
    methyl butyrate 25.45

    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