1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate

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  • Identifiers

    CAS number
    7149-27-1

    Molecular formula
    C18H25NO2

    SMILES
    CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1NC)C

  • Odor profile

    Fragrance
    Floral 77.7%
    Fresh 59.46%
    Citrus 57.58%
    Sweet 56.67%
    Fruity 54.46%
    Rose 48.75%
    Green 48.22%
    Herbal 47.85%
    Grape 47.21%
    Woody 42.24%

     

    Flavor
    Fruity 43.21%
    Herbal 37.19%
    Woody 37.0%
    Bergamot 32.62%
    Bitter 30.41%
    Floral 28.06%
    Sweet 25.8%
    Heather 22.48%
    Broom 22.32%
    Genet 22.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    6.66 (neutral)

    Molecular weight
    287.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Flash point

    • 163.94 ˚C est.

  • Synonyms

    • 7149-27-1
    • 1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate
    • NSC72027
    • EINECS 230-473-0
    • YSISVWIJMAXDQL-UHFFFAOYSA-N
    • DTXSID001187562
    • NSC 72027
    • NSC-72027
    • NS00043776
    • 1-Ethenyl-1,5-dimethyl-4-hexen-1-yl 2-(methylamino)benzoate

  • Applications

    1,5-Dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate (CAS 7149-27-1) is often used as a reactive, polymerizable ester with potential in UV-curable systems; as a monomer or crosslinking component in UV-curable coatings, inks, and adhesives; in polymers and plastics, it may serve as a functional monomer introducing benzoate and amino functionalities; in cosmetics and perfumery, the 2-(methylamino)benzoate moiety suggests utility as a fragrance ingredient or fixative; and as an intermediate in organic synthesis, it can be employed to prepare more complex photoactive or UV-absorbing compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 546.74
    methanol 555.34
    isopropanol 361.78
    water 0.09
    ethyl acetate 448.97
    n-propanol 484.56
    acetone 433.11
    n-butanol 502.46
    acetonitrile 148.21
    DMF 738.54
    toluene 368.88
    isobutanol 364.66
    1,4-dioxane 751.41
    methyl acetate 323.31
    THF 1179.13
    2-butanone 491.0
    n-pentanol 346.35
    sec-butanol 453.39
    n-hexane 38.29
    ethylene glycol 24.47
    NMP 701.94
    cyclohexane 93.62
    DMSO 453.57
    n-butyl acetate 325.13
    n-octanol 121.34
    chloroform 1330.48
    n-propyl acetate 234.45
    acetic acid 287.65
    dichloromethane 976.08
    cyclohexanone 749.77
    propylene glycol 100.73
    isopropyl acetate 294.03
    DMAc 1040.85
    2-ethoxyethanol 304.39
    isopentanol 435.51
    n-heptane 17.11
    ethyl formate 189.39
    1,2-dichloroethane 688.56
    n-hexanol 371.05
    2-methoxyethanol 512.85
    isobutyl acetate 187.82
    tetrachloromethane 111.79
    n-pentyl acetate 190.58
    transcutol 1046.23
    n-heptanol 147.54
    ethylbenzene 146.93
    MIBK 266.95
    2-propoxyethanol 471.42
    tert-butanol 434.03
    MTBE 474.78
    2-butoxyethanol 244.07
    propionic acid 203.55
    o-xylene 173.23
    formic acid 77.29
    diethyl ether 458.45
    m-xylene 198.34
    p-xylene 196.4
    chlorobenzene 400.72
    dimethyl carbonate 146.78
    n-octane 8.11
    formamide 111.22
    cyclopentanone 668.85
    2-pentanone 406.89
    anisole 284.24
    cyclopentyl methyl ether 474.17
    gamma-butyrolactone 541.94
    1-methoxy-2-propanol 438.99
    pyridine 602.76
    3-pentanone 323.56
    furfural 398.4
    n-dodecane 8.18
    diethylene glycol 235.62
    diisopropyl ether 127.49
    tert-amyl alcohol 439.39
    acetylacetone 371.09
    n-hexadecane 9.77
    acetophenone 241.18
    methyl propionate 314.89
    isopentyl acetate 322.24
    trichloroethylene 1165.08
    n-nonanol 117.79
    cyclohexanol 477.08
    benzyl alcohol 233.48
    2-ethylhexanol 177.82
    isooctanol 121.75
    dipropyl ether 158.47
    1,2-dichlorobenzene 305.13
    ethyl lactate 118.8
    propylene carbonate 340.39
    n-methylformamide 199.15
    2-pentanol 331.14
    n-pentane 35.94
    1-propoxy-2-propanol 316.91
    1-methoxy-2-propyl acetate 329.56
    2-(2-methoxypropoxy) propanol 257.55
    mesitylene 112.0
    ε-caprolactone 546.38
    p-cymene 77.53
    epichlorohydrin 842.1
    1,1,1-trichloroethane 547.52
    2-aminoethanol 120.69
    morpholine-4-carbaldehyde 620.89
    sulfolane 559.48
    2,2,4-trimethylpentane 30.43
    2-methyltetrahydrofuran 857.65
    n-hexyl acetate 278.05
    isooctane 18.83
    2-(2-butoxyethoxy)ethanol 350.81
    sec-butyl acetate 208.0
    tert-butyl acetate 302.35
    decalin 42.4
    glycerin 117.56
    diglyme 584.28
    acrylic acid 146.36
    isopropyl myristate 107.21
    n-butyric acid 386.42
    acetyl acetate 245.62
    di(2-ethylhexyl) phthalate 121.56
    ethyl propionate 212.18
    nitromethane 340.76
    1,2-diethoxyethane 355.01
    benzonitrile 223.12
    trioctyl phosphate 86.28
    1-bromopropane 427.22
    gamma-valerolactone 790.75
    n-decanol 86.37
    triethyl phosphate 109.97
    4-methyl-2-pentanol 176.93
    propionitrile 199.94
    vinylene carbonate 264.29
    1,1,2-trichlorotrifluoroethane 461.19
    DMS 224.23
    cumene 96.68
    2-octanol 98.69
    2-hexanone 278.24
    octyl acetate 142.3
    limonene 126.37
    1,2-dimethoxyethane 529.1
    ethyl orthosilicate 116.23
    tributyl phosphate 104.39
    diacetone alcohol 327.95
    N,N-dimethylaniline 200.99
    acrylonitrile 185.03
    aniline 343.65
    1,3-propanediol 248.77
    bromobenzene 404.67
    dibromomethane 653.08
    1,1,2,2-tetrachloroethane 1110.89
    2-methyl-cyclohexyl acetate 203.38
    tetrabutyl urea 138.08
    diisobutyl methanol 88.19
    2-phenylethanol 258.12
    styrene 192.11
    dioctyl adipate 159.68
    dimethyl sulfate 188.37
    ethyl butyrate 204.89
    methyl lactate 149.33
    butyl lactate 156.38
    diethyl carbonate 144.87
    propanediol butyl ether 213.4
    triethyl orthoformate 164.78
    p-tert-butyltoluene 79.08
    methyl 4-tert-butylbenzoate 213.87
    morpholine 1054.12
    tert-butylamine 256.43
    n-dodecanol 64.76
    dimethoxymethane 469.37
    ethylene carbonate 250.03
    cyrene 230.54
    2-ethoxyethyl acetate 271.37
    2-ethylhexyl acetate 263.11
    1,2,4-trichlorobenzene 357.47
    4-methylpyridine 654.1
    dibutyl ether 152.22
    2,6-dimethyl-4-heptanol 88.19
    DEF 481.97
    dimethyl isosorbide 409.85
    tetrachloroethylene 572.0
    eugenol 208.67
    triacetin 226.18
    span 80 232.05
    1,4-butanediol 93.99
    1,1-dichloroethane 648.5
    2-methyl-1-pentanol 352.54
    methyl formate 136.6
    2-methyl-1-butanol 449.37
    n-decane 13.69
    butyronitrile 289.73
    3,7-dimethyl-1-octanol 138.27
    1-chlorooctane 87.35
    1-chlorotetradecane 35.35
    n-nonane 11.92
    undecane 10.3
    tert-butylcyclohexane 36.97
    cyclooctane 21.94
    cyclopentanol 357.72
    tetrahydropyran 1021.78
    tert-amyl methyl ether 354.03
    2,5,8-trioxanonane 378.08
    1-hexene 168.95
    2-isopropoxyethanol 245.7
    2,2,2-trifluoroethanol 72.54
    methyl butyrate 282.86

    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