Erucifoline

Overview IFRA Request a quote

  • Identifiers

    CAS number
    40158-95-0

    Molecular formula
    C18H23NO6

    SMILES
    C/C=C\1/CC2([C@@](O2)(C(=O)OCC3=CCN4[C@H]3[C@@H](CC4)OC1=O)C)CO

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Sweet 43.83%
    Caramellic 40.38%
    Nutty 39.08%
    Roasted 33.67%
    Odorless 32.01%
    Burnt 28.04%
    Popcorn 27.62%
    Lactonic 24.88%
    Coumarinic 24.5%
    Coconut 24.26%

     

    Flavor
    Bitter 83.44%
    Cedarleaf 20.78%
    Sweet-like 20.01%
    Cotton candy 19.79%
    Lovage 19.79%
    Seedy 19.69%
    Fenugreek 19.66%
    Ripe apricot 19.61%
    Shrimp 19.59%
    Extremely sweet 19.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    7.22 (neutral)

    Molecular weight
    349.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    989°C

    Flash point

    • 207.59 ˚C est.

  • Synonyms

    • ERUCIFOLINE
    • 40158-95-0
    • DTXSID401019771
    • CHEBI:136462
    • RefChem:137663
    • DTXCID701477669
    • (5R,9Z,12R,18R)-9-Ethylidene-7-(hydroxymethyl)-5-methyl-3,6,11-trioxa-15-azatetracyclo[10.5.1.05,7.015,18]octadec-1(17)-ene-4,10-dione
    • MSK14159
    • DA-63275
    • FE161550
    • (13xi,15Z)-19-Hydroxy-12,13-epoxysenecionan-11,16-dione
    • (7?,13?)-19-Hydroxy-12,13-epoxysenecionan-11,16-dione
    • 40158-95-0

  • Applications

    Erucifoline (CAS 40158-95-0) is seen as an intermediate in organic synthesis and may be used as a processing solvent or intermediate in certain industrial manufacturing steps. In the polymers/plastics sector, it can serve as a precursor to specialty monomers or as a processing aid for plastics. In coatings and inks, it may participate as an intermediate component within resin systems. In industrial formulations, erucifoline may be considered as a solvent or carrier ingredient in some blends, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.7
    methanol 61.97
    isopropanol 23.73
    water 0.45
    ethyl acetate 75.09
    n-propanol 29.35
    acetone 99.1
    n-butanol 27.27
    acetonitrile 72.47
    DMF 169.76
    toluene 18.77
    isobutanol 20.92
    1,4-dioxane 88.61
    methyl acetate 73.12
    THF 114.1
    2-butanone 78.65
    n-pentanol 19.88
    sec-butanol 19.92
    n-hexane 0.42
    ethylene glycol 24.46
    NMP 152.8
    cyclohexane 1.41
    DMSO 171.93
    n-butyl acetate 31.38
    n-octanol 9.25
    chloroform 168.73
    n-propyl acetate 39.78
    acetic acid 267.72
    dichloromethane 141.93
    cyclohexanone 106.15
    propylene glycol 16.82
    isopropyl acetate 51.1
    DMAc 217.2
    2-ethoxyethanol 82.32
    isopentanol 27.76
    n-heptane 0.53
    ethyl formate 57.34
    1,2-dichloroethane 68.26
    n-hexanol 19.98
    2-methoxyethanol 144.11
    isobutyl acetate 26.86
    tetrachloromethane 16.08
    n-pentyl acetate 26.97
    transcutol 142.59
    n-heptanol 14.7
    ethylbenzene 8.43
    MIBK 41.29
    2-propoxyethanol 92.23
    tert-butanol 24.61
    MTBE 15.76
    2-butoxyethanol 57.71
    propionic acid 70.94
    o-xylene 12.07
    formic acid 195.73
    diethyl ether 23.76
    m-xylene 11.25
    p-xylene 12.63
    chlorobenzene 30.66
    dimethyl carbonate 66.97
    n-octane 0.32
    formamide 248.31
    cyclopentanone 118.49
    2-pentanone 62.4
    anisole 28.23
    cyclopentyl methyl ether 33.76
    gamma-butyrolactone 143.54
    1-methoxy-2-propanol 87.31
    pyridine 97.8
    3-pentanone 47.35
    furfural 151.66
    n-dodecane 0.41
    diethylene glycol 98.27
    diisopropyl ether 6.6
    tert-amyl alcohol 21.15
    acetylacetone 107.63
    n-hexadecane 0.49
    acetophenone 49.43
    methyl propionate 65.59
    isopentyl acetate 32.6
    trichloroethylene 207.84
    n-nonanol 11.26
    cyclohexanol 25.38
    benzyl alcohol 43.85
    2-ethylhexanol 11.69
    isooctanol 13.07
    dipropyl ether 10.24
    1,2-dichlorobenzene 34.13
    ethyl lactate 38.39
    propylene carbonate 82.32
    n-methylformamide 107.26
    2-pentanol 15.65
    n-pentane 0.6
    1-propoxy-2-propanol 46.17
    1-methoxy-2-propyl acetate 62.43
    2-(2-methoxypropoxy) propanol 53.58
    mesitylene 6.06
    ε-caprolactone 96.19
    p-cymene 6.63
    epichlorohydrin 159.56
    1,1,1-trichloroethane 56.99
    2-aminoethanol 36.53
    morpholine-4-carbaldehyde 184.01
    sulfolane 147.12
    2,2,4-trimethylpentane 0.59
    2-methyltetrahydrofuran 58.04
    n-hexyl acetate 30.98
    isooctane 0.42
    2-(2-butoxyethoxy)ethanol 65.52
    sec-butyl acetate 29.22
    tert-butyl acetate 41.51
    decalin 1.03
    glycerin 56.24
    diglyme 123.89
    acrylic acid 95.47
    isopropyl myristate 12.74
    n-butyric acid 91.75
    acetyl acetate 85.97
    di(2-ethylhexyl) phthalate 22.99
    ethyl propionate 39.49
    nitromethane 334.99
    1,2-diethoxyethane 32.17
    benzonitrile 48.98
    trioctyl phosphate 14.18
    1-bromopropane 21.83
    gamma-valerolactone 214.62
    n-decanol 7.97
    triethyl phosphate 22.56
    4-methyl-2-pentanol 13.12
    propionitrile 49.75
    vinylene carbonate 105.95
    1,1,2-trichlorotrifluoroethane 182.26
    DMS 46.17
    cumene 6.1
    2-octanol 7.68
    2-hexanone 37.5
    octyl acetate 17.95
    limonene 7.95
    1,2-dimethoxyethane 98.94
    ethyl orthosilicate 19.48
    tributyl phosphate 16.98
    diacetone alcohol 64.66
    N,N-dimethylaniline 20.27
    acrylonitrile 81.7
    aniline 38.95
    1,3-propanediol 58.74
    bromobenzene 27.64
    dibromomethane 70.28
    1,1,2,2-tetrachloroethane 112.2
    2-methyl-cyclohexyl acetate 28.74
    tetrabutyl urea 24.11
    diisobutyl methanol 7.47
    2-phenylethanol 43.56
    styrene 10.5
    dioctyl adipate 24.39
    dimethyl sulfate 102.99
    ethyl butyrate 27.2
    methyl lactate 64.88
    butyl lactate 30.55
    diethyl carbonate 26.0
    propanediol butyl ether 38.16
    triethyl orthoformate 23.98
    p-tert-butyltoluene 5.74
    methyl 4-tert-butylbenzoate 42.58
    morpholine 100.69
    tert-butylamine 9.42
    n-dodecanol 5.72
    dimethoxymethane 110.1
    ethylene carbonate 82.6
    cyrene 76.29
    2-ethoxyethyl acetate 54.58
    2-ethylhexyl acetate 24.17
    1,2,4-trichlorobenzene 48.66
    4-methylpyridine 74.06
    dibutyl ether 8.23
    2,6-dimethyl-4-heptanol 7.47
    DEF 78.07
    dimethyl isosorbide 84.73
    tetrachloroethylene 84.0
    eugenol 51.29
    triacetin 51.02
    span 80 37.28
    1,4-butanediol 24.39
    1,1-dichloroethane 59.34
    2-methyl-1-pentanol 21.77
    methyl formate 92.46
    2-methyl-1-butanol 23.68
    n-decane 0.65
    butyronitrile 41.62
    3,7-dimethyl-1-octanol 11.75
    1-chlorooctane 3.98
    1-chlorotetradecane 1.89
    n-nonane 0.46
    undecane 0.5
    tert-butylcyclohexane 0.68
    cyclooctane 0.58
    cyclopentanol 28.71
    tetrahydropyran 48.03
    tert-amyl methyl ether 15.18
    2,5,8-trioxanonane 85.44
    1-hexene 2.45
    2-isopropoxyethanol 51.78
    2,2,2-trifluoroethanol 113.96
    methyl butyrate 49.29

    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