Icosapent

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  • Identifiers

    CAS number
    25377-48-4

    Molecular formula
    C20H30O2

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

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fatty 76.93%
    Oily 56.63%
    Fishy 30.98%
    Waxy 30.56%
    Green 29.36%
    Fruity 25.31%
    Citrus 23.33%
    Woody 22.99%
    Herbal 22.98%
    Sweet 22.01%

     

    Flavor
    Faint 19.28%
    Oriental 18.73%
    Pumpkin 17.87%
    Nitrile 17.55%
    Diterpene 17.5%
    Delicate 17.32%
    Low 17.23%
    Honeydew 16.98%
    Slightly waxy 16.93%
    Terpentine 16.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    8.35 (weak base)

    Molecular weight
    302.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    271°C

    Flash point

    • 252.67 ˚C est.

  • Synonyms

    • Icosapent
    • EPA
    • Icosapento
    • Icosapentum
    • Miraxion
    • Eye Q
    • Eye-Q
    • Ropufa 70
    • Incromega e 7010sr
    • CCRIS 3279
    • AAN7QOV9EA
    • UNII-AAN7QOV9EA
    • EPA 45G
    • EPA [drug]
    • (5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoate
    • Icosapentum [INN-Latin]
    • Icosapento [INN-Spanish]
    • C20:5n-3,6,9,12,15
    • C20:5 (n-3)
    • CHEBI:28364
    • EPA (drug)
    • Icosapentum (INN-Latin)
    • Icosapento (INN-Spanish)
    • RELIVEN
    • EPA-FFA
    • RefChem:5900
    • ICOSAPENT (EPA)
    • 25377-48-4
    • icosapentate
    • Timnodonic acid
    • 10417-94-4
    • cis-5,8,11,14,17-Eicosapentaenoic acid
    • (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid
    • eicosapentaenoate
    • 5Z,8Z,11Z,14Z,17Z-Eicosapentaenoic acid
    • (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic acid
    • (all-Z)-5,8,11,14,17-Eicosapentaenoic acid
    • Icosapent [INN]
    • (5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoic acid
    • (5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
    • MFCD00065716
    • 5,8,11,14,17-Icosapentaenoic acid
    • CHEMBL460026
    • DTXSID9041023
    • all-cis-5,8,11,14,17-eicosapentaenoic acid
    • all-cis-icosa-5,8,11,14,17-pentaenoic acid
    • Icosapent (INN)
    • cis-Delta(5,8,11,14,17)-eicosapentaenoic acid
    • 5,8,11,14,17-Eicosapentaenoic acid, (all-Z)-
    • Eicosapentaenoic acid (c20:5 n3)
    • EPA;Timnodonic acid
    • Icosapentaenoate
    • (all-Z)-delta5,8,11,14,17-Eicosapentaenoic acid
    • cis-5,8,11,14,17-EPA
    • FA 20:5
    • NCGC00161344-03
    • 5,8,11,14,17-Eicosapentaenoic acid, (5Z,8Z,11Z,14Z,17Z)-
    • EICOSAPENTAENOIC ACID (20:5 n-3)
    • all-cis-5,8,11,14,17-icosapentaenoic acid
    • (5Z,8Z,11Z,14Z,17Z)-icosapentaenoate
    • Timnodonate
    • 3gwx
    • all-cis-icosapentaenoate
    • all-cis-icosapentaenoic acid
    • SCHEMBL20469
    • BSPBio_001328
    • BML3-B01
    • GTPL3362
    • orb1301847
    • orb3025588
    • DTXCID7021023
    • Eicosapentaenoic Acid (Standard)
    • HY-B0660R
    • MSK1763
    • EICOSAPENTAENOIC ACID [MI]
    • HMS1361C10
    • HMS1791C10
    • HMS1989C10
    • HMS3402C10
    • HMS3649D19
    • HMS5085P06
    • HY-B0660
    • 5,8,11,14,17-Icosapentaenoate
    • Tox21_111991
    • 5,8,11,14,17-Eicosapentaenoate
    • BDBM50242349
    • EBC-26546
    • EICOSAPENTAENOIC ACID [VANDF]
    • LMFA01030759
    • s6476
    • EICOSAPENTAENOIC ACID [MART.]
    • AKOS027470327
    • EICOSAPENTAENOIC ACID [USP-RS]
    • EICOSAPENTAENOIC ACID [WHO-DD]
    • CCG-207957
    • CCG-208136
    • DB00159
    • FE22647
    • cis-5,8,11,14,17-eicosapentaenoate
    • IDI1_033798
    • NCGC00161344-01
    • NCGC00161344-02
    • NCGC00161344-04
    • NCGC00161344-07
    • 5Z,8Z,11Z,14Z,17Z-Eicosapentaenoate
    • AC-31072
    • AS-53730
    • BP-40902
    • SY069862
    • cis-5,8,11,14,17-eicosapentanoic acid
    • CAS-10417-94-4
    • E0441
    • NS00010730
    • 5,8,11,14,17-Eicosapentaenoic acid (6CI)
    • all cis-5,8,11,14,17-Icosapentaenoic Acid
    • C06428
    • D08061
    • P16966
    • EN300-7403855
    • (all-cis)-5,8,11,14,17-Eicosapentaenoic acid
    • cis-5,8,11,14,17-eicosapentaenoic acid (EPA)
    • EICOSAPENTAENOIC ACID (EPA) (C20:5 N3)
    • F534959
    • L001256
    • Q409990
    • SR-01000946647
    • FA(20:5(5Z,8Z,11Z,14Z,17Z))
    • 10417-94-4

  • Applications

    Icosapent (CAS 25377-48-4) is a long-chain ester that is commonly evaluated as an intermediate in organic synthesis and as a processing aid in specialty formulations. In practice, it may be used as a solvent or plasticizer in coatings, inks, and polymer blends; in cosmetics and personal care it can serve as an emollient or carrier component; in perfumery it is considered for fragrance applications as an odorant or fixative; and in pharmaceutical research contexts it may function as a fatty-acid-derived intermediate for the synthesis of more complex compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.43
    methanol 14.15
    isopropanol 13.32
    water 0.01
    ethyl acetate 26.06
    n-propanol 14.97
    acetone 27.33
    n-butanol 18.8
    acetonitrile 5.44
    DMF 66.67
    toluene 15.94
    isobutanol 12.62
    1,4-dioxane 44.53
    methyl acetate 18.08
    THF 216.2
    2-butanone 36.46
    n-pentanol 23.38
    sec-butanol 18.29
    n-hexane 8.44
    ethylene glycol 0.85
    NMP 129.67
    cyclohexane 11.07
    DMSO 133.64
    n-butyl acetate 46.72
    n-octanol 17.24
    chloroform 82.73
    n-propyl acetate 45.18
    acetic acid 11.8
    dichloromethane 88.4
    cyclohexanone 97.09
    propylene glycol 4.29
    isopropyl acetate 30.82
    DMAc 179.82
    2-ethoxyethanol 44.57
    isopentanol 24.53
    n-heptane 6.34
    ethyl formate 13.13
    1,2-dichloroethane 70.95
    n-hexanol 23.13
    2-methoxyethanol 38.87
    isobutyl acetate 37.41
    tetrachloromethane 14.3
    n-pentyl acetate 48.37
    transcutol 266.81
    n-heptanol 17.75
    ethylbenzene 18.95
    MIBK 46.58
    2-propoxyethanol 54.3
    tert-butanol 28.34
    MTBE 42.16
    2-butoxyethanol 48.61
    propionic acid 12.21
    o-xylene 17.56
    formic acid 3.0
    diethyl ether 28.07
    m-xylene 16.18
    p-xylene 22.28
    chlorobenzene 23.59
    dimethyl carbonate 9.91
    n-octane 3.26
    formamide 6.01
    cyclopentanone 114.14
    2-pentanone 42.67
    anisole 42.37
    cyclopentyl methyl ether 77.41
    gamma-butyrolactone 86.41
    1-methoxy-2-propanol 48.67
    pyridine 41.28
    3-pentanone 32.39
    furfural 63.46
    n-dodecane 2.21
    diethylene glycol 18.63
    diisopropyl ether 16.6
    tert-amyl alcohol 32.0
    acetylacetone 53.68
    n-hexadecane 2.56
    acetophenone 51.17
    methyl propionate 24.24
    isopentyl acetate 52.52
    trichloroethylene 105.23
    n-nonanol 19.67
    cyclohexanol 26.53
    benzyl alcohol 23.97
    2-ethylhexanol 23.86
    isooctanol 20.62
    dipropyl ether 45.46
    1,2-dichlorobenzene 30.66
    ethyl lactate 24.18
    propylene carbonate 46.11
    n-methylformamide 13.09
    2-pentanol 16.97
    n-pentane 3.86
    1-propoxy-2-propanol 57.55
    1-methoxy-2-propyl acetate 62.19
    2-(2-methoxypropoxy) propanol 63.09
    mesitylene 14.36
    ε-caprolactone 81.79
    p-cymene 16.47
    epichlorohydrin 115.14
    1,1,1-trichloroethane 52.71
    2-aminoethanol 4.86
    morpholine-4-carbaldehyde 90.17
    sulfolane 183.49
    2,2,4-trimethylpentane 5.91
    2-methyltetrahydrofuran 103.04
    n-hexyl acetate 55.54
    isooctane 3.72
    2-(2-butoxyethoxy)ethanol 80.14
    sec-butyl acetate 40.78
    tert-butyl acetate 56.61
    decalin 10.56
    glycerin 7.46
    diglyme 159.69
    acrylic acid 7.98
    isopropyl myristate 26.19
    n-butyric acid 30.47
    acetyl acetate 17.64
    di(2-ethylhexyl) phthalate 21.99
    ethyl propionate 36.29
    nitromethane 23.87
    1,2-diethoxyethane 92.03
    benzonitrile 21.63
    trioctyl phosphate 15.89
    1-bromopropane 43.27
    gamma-valerolactone 135.4
    n-decanol 13.74
    triethyl phosphate 33.77
    4-methyl-2-pentanol 17.01
    propionitrile 9.49
    vinylene carbonate 28.92
    1,1,2-trichlorotrifluoroethane 69.87
    DMS 30.01
    cumene 17.43
    2-octanol 13.94
    2-hexanone 57.2
    octyl acetate 27.85
    limonene 26.61
    1,2-dimethoxyethane 101.98
    ethyl orthosilicate 37.05
    tributyl phosphate 21.88
    diacetone alcohol 65.2
    N,N-dimethylaniline 42.15
    acrylonitrile 9.03
    aniline 17.29
    1,3-propanediol 10.79
    bromobenzene 27.22
    dibromomethane 61.59
    1,1,2,2-tetrachloroethane 116.41
    2-methyl-cyclohexyl acetate 57.65
    tetrabutyl urea 36.94
    diisobutyl methanol 20.22
    2-phenylethanol 25.83
    styrene 19.53
    dioctyl adipate 44.89
    dimethyl sulfate 30.08
    ethyl butyrate 48.98
    methyl lactate 17.42
    butyl lactate 39.55
    diethyl carbonate 27.64
    propanediol butyl ether 40.33
    triethyl orthoformate 49.78
    p-tert-butyltoluene 16.13
    methyl 4-tert-butylbenzoate 58.08
    morpholine 72.32
    tert-butylamine 19.92
    n-dodecanol 9.86
    dimethoxymethane 48.9
    ethylene carbonate 25.29
    cyrene 62.38
    2-ethoxyethyl acetate 59.52
    2-ethylhexyl acetate 44.96
    1,2,4-trichlorobenzene 39.32
    4-methylpyridine 43.33
    dibutyl ether 48.66
    2,6-dimethyl-4-heptanol 20.22
    DEF 60.53
    dimethyl isosorbide 141.79
    tetrachloroethylene 61.91
    eugenol 48.03
    triacetin 62.02
    span 80 53.81
    1,4-butanediol 5.44
    1,1-dichloroethane 44.59
    2-methyl-1-pentanol 30.39
    methyl formate 8.06
    2-methyl-1-butanol 21.89
    n-decane 4.45
    butyronitrile 16.19
    3,7-dimethyl-1-octanol 22.39
    1-chlorooctane 17.94
    1-chlorotetradecane 7.08
    n-nonane 4.1
    undecane 2.98
    tert-butylcyclohexane 9.21
    cyclooctane 4.03
    cyclopentanol 26.72
    tetrahydropyran 71.48
    tert-amyl methyl ether 45.55
    2,5,8-trioxanonane 111.16
    1-hexene 22.16
    2-isopropoxyethanol 42.84
    2,2,2-trifluoroethanol 4.38
    methyl butyrate 55.24

    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