Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    67801-47-2

    Molecular formula
    C18H23NO2

    SMILES
    CC(=CCCC(=CC=NC1=CC=CC=C1C(=O)OC)C)C

  • Odor profile

    Fragrance
    Fruity 73.52%
    Citrus 72.35%
    Sweet 69.51%
    Fresh 67.95%
    Floral 61.99%
    Green 45.46%
    Lemon 42.58%
    Rose 40.53%
    Orange 36.26%
    Herbal 35.07%

     

    Flavor
    Herbal 34.96%
    Bitter 31.78%
    Spicy 24.41%
    Woody 22.9%
    Floral 21.5%
    Heather 21.46%
    Fruity 21.43%
    Genet 21.22%
    Broom 21.19%
    Balsam 21.17%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.11 (neutral)

    Molecular weight
    285.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    367°C

    Flash point

    • 177.77 ˚C est.

  • Synonyms

    • 67801-47-2
    • methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate
    • Benzoic acid, 2-[(3,7-dimethyl-2,6-octadien-1-ylidene)amino]-, methyl ester
    • DTXSID1052375
    • JWXAUDGXBFALGZ-UHFFFAOYSA-N
    • NS00100353

  • Applications

    Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate (CAS 67801-47-2) may be used as an intermediate in the synthesis of terpene-containing aryl–imine (Schiff base) compounds and related dye or polymer precursors; in the fragrance and cosmetics industries it can function as an odorant building block and, where permitted by regulations, as a scent ingredient or fixative component; it can be explored as a precursor for specialty dyes and polymeric materials; in coatings and inks it may be evaluated as a functional additive for aroma or integration into aroma-release systems; as a research-building block in organic synthesis it supports development of new routes and functional materials, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 234.9
    methanol 149.99
    isopropanol 161.28
    water 0.01
    ethyl acetate 470.44
    n-propanol 220.18
    acetone 329.01
    n-butanol 214.1
    acetonitrile 152.59
    DMF 318.31
    toluene 499.79
    isobutanol 147.32
    1,4-dioxane 593.31
    methyl acetate 305.04
    THF 939.91
    2-butanone 423.23
    n-pentanol 172.98
    sec-butanol 231.96
    n-hexane 19.04
    ethylene glycol 10.39
    NMP 279.78
    cyclohexane 52.21
    DMSO 273.7
    n-butyl acetate 197.52
    n-octanol 45.82
    chloroform 1397.66
    n-propyl acetate 199.92
    acetic acid 133.75
    dichloromethane 1259.28
    cyclohexanone 509.08
    propylene glycol 56.84
    isopropyl acetate 218.37
    DMAc 498.08
    2-ethoxyethanol 226.84
    isopentanol 186.18
    n-heptane 8.91
    ethyl formate 126.79
    1,2-dichloroethane 781.74
    n-hexanol 155.24
    2-methoxyethanol 332.83
    isobutyl acetate 130.16
    tetrachloromethane 84.04
    n-pentyl acetate 103.1
    transcutol 828.75
    n-heptanol 60.24
    ethylbenzene 150.05
    MIBK 180.2
    2-propoxyethanol 248.08
    tert-butanol 202.99
    MTBE 267.87
    2-butoxyethanol 134.72
    propionic acid 109.29
    o-xylene 166.06
    formic acid 25.79
    diethyl ether 407.87
    m-xylene 206.82
    p-xylene 161.66
    chlorobenzene 368.96
    dimethyl carbonate 97.1
    n-octane 4.44
    formamide 55.21
    cyclopentanone 505.41
    2-pentanone 343.92
    anisole 262.6
    cyclopentyl methyl ether 397.15
    gamma-butyrolactone 370.33
    1-methoxy-2-propanol 274.17
    pyridine 655.84
    3-pentanone 275.2
    furfural 325.69
    n-dodecane 3.95
    diethylene glycol 116.04
    diisopropyl ether 73.59
    tert-amyl alcohol 231.43
    acetylacetone 300.21
    n-hexadecane 4.77
    acetophenone 219.53
    methyl propionate 303.14
    isopentyl acetate 184.47
    trichloroethylene 1416.12
    n-nonanol 49.54
    cyclohexanol 249.4
    benzyl alcohol 194.82
    2-ethylhexanol 88.67
    isooctanol 55.58
    dipropyl ether 111.24
    1,2-dichlorobenzene 257.5
    ethyl lactate 85.23
    propylene carbonate 205.26
    n-methylformamide 106.26
    2-pentanol 159.95
    n-pentane 16.44
    1-propoxy-2-propanol 178.22
    1-methoxy-2-propyl acetate 218.56
    2-(2-methoxypropoxy) propanol 154.58
    mesitylene 89.38
    ε-caprolactone 364.94
    p-cymene 53.5
    epichlorohydrin 886.81
    1,1,1-trichloroethane 549.07
    2-aminoethanol 52.88
    morpholine-4-carbaldehyde 333.88
    sulfolane 388.72
    2,2,4-trimethylpentane 13.74
    2-methyltetrahydrofuran 640.5
    n-hexyl acetate 136.23
    isooctane 8.87
    2-(2-butoxyethoxy)ethanol 216.22
    sec-butyl acetate 156.12
    tert-butyl acetate 201.18
    decalin 25.09
    glycerin 61.74
    diglyme 411.91
    acrylic acid 77.59
    isopropyl myristate 55.06
    n-butyric acid 216.22
    acetyl acetate 182.81
    di(2-ethylhexyl) phthalate 63.39
    ethyl propionate 181.14
    nitromethane 239.2
    1,2-diethoxyethane 276.45
    benzonitrile 196.66
    trioctyl phosphate 38.57
    1-bromopropane 463.9
    gamma-valerolactone 519.26
    n-decanol 36.53
    triethyl phosphate 67.97
    4-methyl-2-pentanol 83.65
    propionitrile 171.17
    vinylene carbonate 169.54
    1,1,2-trichlorotrifluoroethane 356.78
    DMS 130.97
    cumene 77.96
    2-octanol 38.39
    2-hexanone 217.1
    octyl acetate 71.74
    limonene 78.22
    1,2-dimethoxyethane 380.32
    ethyl orthosilicate 69.76
    tributyl phosphate 51.18
    diacetone alcohol 210.46
    N,N-dimethylaniline 153.95
    acrylonitrile 177.96
    aniline 355.91
    1,3-propanediol 114.85
    bromobenzene 417.0
    dibromomethane 795.14
    1,1,2,2-tetrachloroethane 1142.41
    2-methyl-cyclohexyl acetate 125.82
    tetrabutyl urea 65.84
    diisobutyl methanol 47.68
    2-phenylethanol 182.53
    styrene 200.88
    dioctyl adipate 90.62
    dimethyl sulfate 114.22
    ethyl butyrate 144.79
    methyl lactate 95.1
    butyl lactate 86.58
    diethyl carbonate 93.82
    propanediol butyl ether 107.51
    triethyl orthoformate 104.35
    p-tert-butyltoluene 52.36
    methyl 4-tert-butylbenzoate 130.86
    morpholine 842.24
    tert-butylamine 116.32
    n-dodecanol 28.24
    dimethoxymethane 335.45
    ethylene carbonate 143.19
    cyrene 141.8
    2-ethoxyethyl acetate 181.05
    2-ethylhexyl acetate 147.95
    1,2,4-trichlorobenzene 312.0
    4-methylpyridine 621.33
    dibutyl ether 83.7
    2,6-dimethyl-4-heptanol 47.68
    DEF 319.55
    dimethyl isosorbide 267.44
    tetrachloroethylene 525.17
    eugenol 138.86
    triacetin 140.0
    span 80 123.04
    1,4-butanediol 45.13
    1,1-dichloroethane 713.92
    2-methyl-1-pentanol 182.34
    methyl formate 78.43
    2-methyl-1-butanol 199.51
    n-decane 6.68
    butyronitrile 210.06
    3,7-dimethyl-1-octanol 63.2
    1-chlorooctane 46.32
    1-chlorotetradecane 17.68
    n-nonane 5.7
    undecane 4.96
    tert-butylcyclohexane 19.62
    cyclooctane 12.22
    cyclopentanol 177.75
    tetrahydropyran 786.37
    tert-amyl methyl ether 209.6
    2,5,8-trioxanonane 257.46
    1-hexene 108.64
    2-isopropoxyethanol 169.71
    2,2,2-trifluoroethanol 31.62
    methyl butyrate 228.26

    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