N-3,7-Dimethyl-2,6-octadienyl cyclopropylcarboxamide, (2E)-

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  • Identifiers

    CAS number
    744251-93-2

    Molecular formula
    C14H23NO

    SMILES
    CC(=CCC/C(=C/CNC(=O)C1CC1)/C)C

  • Odor profile

    Fragrance
    Meaty 53.73%
    Roasted 42.15%
    Savory 39.08%
    Herbal 34.28%
    Grapefruit 33.33%
    Mint 32.94%
    Cooling 32.13%
    Citrus 31.5%
    Spicy 30.5%
    Cooked 29.25%

     

    Flavor
    Herbal 57.37%
    Spicy 30.89%
    Woody 29.03%
    Herb 25.48%
    Floral 24.65%
    Fresh 24.54%
    Wood 22.1%
    Warm 21.97%
    Spice 21.29%
    Oriental 21.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.12 (weak base)

    Molecular weight
    221.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    340°C

    Melting point expt.

    • 53.00 °C. @ 760.00 mm Hg

    Flash point

    • 139.01 ˚C est.

    Solubility expt.

    • slightly

  • Synonyms

    • FEMA No. 4267, E-
    • 0T7H9YA5WZ
    • UNII-0T7H9YA5WZ
    • N-3,7-Dimethyl-2,6-octadienyl cyclopropylcarboxamide, (2E)-
    • 744251-93-2
    • Cyclopropanecarboxamide, N-((2E)-3,7-dimethyl-2,6-octadien-1-yl)-
    • Cyclopropanecarboxamide, N-((2E)-3,7-dimethyl-2,6-octadienyl)-
    • N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamide
    • CHEMBL3355308
    • DTXSID70225440
    • N-(3,7-DIMETHYL-2,6-OCTADIENYL)CYCLOPROPANECARBOXAMIDE, (2E)-
    • N-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)cyclopropanecarboxamide
    • N-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]cyclopropanecarboxamide
    • Cyclopropanecarboxamide, N-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-
    • SCHEMBL787326
    • SCHEMBL787327
    • FEMA 4267
    • DTXCID70147931
    • CHEBI:173636
    • CHEBI:177880
    • N-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide
    • BDBM50037024
    • NS00125699
    • Q27237227
    • N-(3,7-dimethyl-2,6-octadienyl)cyclopropanecarboxamide
    • N-(3,7-dimethylocta-2,6-dienyl)cyclopropanecarboxamide
    • (2E)-N-3,7-dimethyl-2,6-octadienyl cyclopropylcarboxamide
    • (e)-N-(3,7-dimethylocta-2,6-dienyl)cyclopropanecarboxamide
    • N-(3,7-dimethyl-2,6-octadien-1-yl)cyclopropanecarboxamide
    • N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide
    • N-(3,7-DIMETHYLOCTA-2,6-DIEN-1-YL)CYCLOPROPANECARBOXAMIDE
    • N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]cyclopropanecarboxamide
    • 1462392-75-1

  • Applications

    N-3,7-Dimethyl-2,6-octadienyl cyclopropylcarboxamide, (2E)- (CAS 744251-93-2) is primarily treated as an odor-related intermediate and fragrance ingredient in the chemical industry; in practice, it may be used as a fragrance component or fixative in perfumery and cosmetics; it may also be evaluated for use in household products as a fragrance additive; on a scouting level, the compound can be considered for aroma applications in flavor contexts; and in industrial manufacturing it can serve as an intermediate or processing additive in polymer, coating, or ink formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 440.53
    methanol 383.7
    isopropanol 267.01
    water 0.13
    ethyl acetate 301.64
    n-propanol 267.27
    acetone 204.34
    n-butanol 306.0
    acetonitrile 122.85
    DMF 122.23
    toluene 105.54
    isobutanol 157.57
    1,4-dioxane 419.13
    methyl acetate 171.14
    THF 546.21
    2-butanone 231.17
    n-pentanol 229.94
    sec-butanol 223.39
    n-hexane 22.6
    ethylene glycol 22.85
    NMP 116.76
    cyclohexane 32.57
    DMSO 138.45
    n-butyl acetate 222.94
    n-octanol 50.33
    chloroform 543.12
    n-propyl acetate 195.12
    acetic acid 235.12
    dichloromethane 430.87
    cyclohexanone 261.86
    propylene glycol 62.32
    isopropyl acetate 216.17
    DMAc 230.88
    2-ethoxyethanol 282.3
    isopentanol 249.07
    n-heptane 10.86
    ethyl formate 110.2
    1,2-dichloroethane 236.95
    n-hexanol 184.66
    2-methoxyethanol 336.31
    isobutyl acetate 152.97
    tetrachloromethane 52.46
    n-pentyl acetate 112.18
    transcutol 1039.13
    n-heptanol 68.13
    ethylbenzene 67.04
    MIBK 161.22
    2-propoxyethanol 303.34
    tert-butanol 239.69
    MTBE 305.32
    2-butoxyethanol 164.76
    propionic acid 122.84
    o-xylene 65.36
    formic acid 62.21
    diethyl ether 343.87
    m-xylene 72.03
    p-xylene 84.24
    chlorobenzene 114.53
    dimethyl carbonate 41.12
    n-octane 4.19
    formamide 84.73
    cyclopentanone 204.42
    2-pentanone 225.54
    anisole 143.69
    cyclopentyl methyl ether 196.4
    gamma-butyrolactone 192.98
    1-methoxy-2-propanol 257.82
    pyridine 269.01
    3-pentanone 138.31
    furfural 198.23
    n-dodecane 3.65
    diethylene glycol 169.99
    diisopropyl ether 85.53
    tert-amyl alcohol 212.57
    acetylacetone 201.81
    n-hexadecane 4.17
    acetophenone 130.41
    methyl propionate 133.47
    isopentyl acetate 219.09
    trichloroethylene 407.51
    n-nonanol 52.67
    cyclohexanol 163.98
    benzyl alcohol 128.92
    2-ethylhexanol 95.58
    isooctanol 56.99
    dipropyl ether 115.82
    1,2-dichlorobenzene 101.32
    ethyl lactate 70.25
    propylene carbonate 143.46
    n-methylformamide 68.91
    2-pentanol 188.81
    n-pentane 20.42
    1-propoxy-2-propanol 206.25
    1-methoxy-2-propyl acetate 228.39
    2-(2-methoxypropoxy) propanol 162.62
    mesitylene 45.45
    ε-caprolactone 251.71
    p-cymene 39.59
    epichlorohydrin 304.3
    1,1,1-trichloroethane 199.18
    2-aminoethanol 88.0
    morpholine-4-carbaldehyde 204.58
    sulfolane 155.22
    2,2,4-trimethylpentane 15.79
    2-methyltetrahydrofuran 371.25
    n-hexyl acetate 140.81
    isooctane 10.92
    2-(2-butoxyethoxy)ethanol 240.42
    sec-butyl acetate 169.23
    tert-butyl acetate 196.76
    decalin 19.46
    glycerin 70.67
    diglyme 414.39
    acrylic acid 79.38
    isopropyl myristate 51.3
    n-butyric acid 283.9
    acetyl acetate 150.7
    di(2-ethylhexyl) phthalate 61.16
    ethyl propionate 134.63
    nitromethane 184.97
    1,2-diethoxyethane 346.05
    benzonitrile 114.42
    trioctyl phosphate 33.89
    1-bromopropane 183.59
    gamma-valerolactone 309.28
    n-decanol 36.82
    triethyl phosphate 66.82
    4-methyl-2-pentanol 111.58
    propionitrile 121.69
    vinylene carbonate 112.19
    1,1,2-trichlorotrifluoroethane 201.29
    DMS 107.16
    cumene 48.45
    2-octanol 40.68
    2-hexanone 192.18
    octyl acetate 62.35
    limonene 57.68
    1,2-dimethoxyethane 420.67
    ethyl orthosilicate 72.2
    tributyl phosphate 48.35
    diacetone alcohol 177.88
    N,N-dimethylaniline 93.0
    acrylonitrile 102.89
    aniline 129.61
    1,3-propanediol 187.89
    bromobenzene 117.71
    dibromomethane 288.23
    1,1,2,2-tetrachloroethane 335.62
    2-methyl-cyclohexyl acetate 125.03
    tetrabutyl urea 55.13
    diisobutyl methanol 57.7
    2-phenylethanol 138.82
    styrene 82.83
    dioctyl adipate 78.0
    dimethyl sulfate 49.15
    ethyl butyrate 147.55
    methyl lactate 61.33
    butyl lactate 90.5
    diethyl carbonate 95.84
    propanediol butyl ether 132.55
    triethyl orthoformate 119.51
    p-tert-butyltoluene 36.75
    methyl 4-tert-butylbenzoate 97.0
    morpholine 498.89
    tert-butylamine 154.51
    n-dodecanol 26.99
    dimethoxymethane 164.32
    ethylene carbonate 108.93
    cyrene 119.42
    2-ethoxyethyl acetate 201.42
    2-ethylhexyl acetate 167.31
    1,2,4-trichlorobenzene 124.76
    4-methylpyridine 249.41
    dibutyl ether 96.87
    2,6-dimethyl-4-heptanol 57.7
    DEF 197.23
    dimethyl isosorbide 223.57
    tetrachloroethylene 216.93
    eugenol 102.59
    triacetin 140.82
    span 80 129.97
    1,4-butanediol 70.08
    1,1-dichloroethane 243.8
    2-methyl-1-pentanol 198.78
    methyl formate 37.67
    2-methyl-1-butanol 202.14
    n-decane 6.3
    butyronitrile 193.65
    3,7-dimethyl-1-octanol 67.79
    1-chlorooctane 32.84
    1-chlorotetradecane 13.73
    n-nonane 5.25
    undecane 4.53
    tert-butylcyclohexane 18.67
    cyclooctane 9.45
    cyclopentanol 119.71
    tetrahydropyran 434.41
    tert-amyl methyl ether 195.34
    2,5,8-trioxanonane 257.38
    1-hexene 94.95
    2-isopropoxyethanol 208.44
    2,2,2-trifluoroethanol 47.96
    methyl butyrate 183.08

    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