Carbamic acid, N,N-dimethyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester

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  • Identifiers

    CAS number
    67643-70-3

    Molecular formula
    C13H23NO2

    SMILES
    CC(=CCCC(C)(C=C)OC(=O)N(C)C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Herbal 62.83%
    Citrus 52.63%
    Woody 46.91%
    Floral 44.64%
    Bergamot 42.88%
    Fresh 41.81%
    Fruity 40.5%
    Sweet 38.85%
    Lavender 38.4%
    Rose 33.18%

     

    Flavor
    Fruity 66.1%
    Woody 56.0%
    Bergamot 52.37%
    Herbal 45.04%
    Sweet 43.4%
    Green 41.02%
    Lavender 40.77%
    Berry 36.99%
    Citrus 35.93%
    Tropical 31.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.76 (weak base)

    Molecular weight
    225.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    252°C

    Flash point

    • 114.39 ˚C est.

  • Synonyms

    • 67643-70-3
    • Carbamic acid, N,N-dimethyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
    • DTXSID30886334
    • Carbamic acid, dimethyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
    • SCHEMBL292996
    • YIGYAWHTWIGTAQ-UHFFFAOYSA-N
    • DTXCID201025667
    • NS00021325

  • Applications

    Chemical name: Carbamic acid, N,N-dimethyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester; CAS number: 67643-70-3 is a specialized monomer and synthetic intermediate used in polymer and coating formulations; typical use-cases include: 1) as a monomer in polymers and plastics; 2) participation in UV-curable coatings and inks; 3) serving as a reactive diluent or crosslinker in adhesive systems; 4) as a precursor for more complex carbamate-containing materials in industrial synthesis; 5) exploration in photopolymerizable resins for electronics or optical coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 926.39
    methanol 794.47
    isopropanol 1053.81
    water 0.73
    ethyl acetate 618.06
    n-propanol 819.42
    acetone 549.22
    n-butanol 857.59
    acetonitrile 333.76
    DMF 786.65
    toluene 702.42
    isobutanol 789.7
    1,4-dioxane 1147.54
    methyl acetate 512.58
    THF 1423.39
    2-butanone 685.15
    n-pentanol 783.75
    sec-butanol 1266.58
    n-hexane 199.89
    ethylene glycol 65.82
    NMP 712.55
    cyclohexane 293.54
    DMSO 407.85
    n-butyl acetate 632.97
    n-octanol 474.21
    chloroform 2401.58
    n-propyl acetate 439.28
    acetic acid 500.67
    dichloromethane 1541.81
    cyclohexanone 988.38
    propylene glycol 227.0
    isopropyl acetate 522.76
    DMAc 1056.23
    2-ethoxyethanol 602.84
    isopentanol 858.95
    n-heptane 84.59
    ethyl formate 370.51
    1,2-dichloroethane 764.67
    n-hexanol 889.91
    2-methoxyethanol 709.72
    isobutyl acetate 384.97
    tetrachloromethane 352.64
    n-pentyl acetate 443.05
    transcutol 1063.42
    n-heptanol 465.02
    ethylbenzene 464.24
    MIBK 447.18
    2-propoxyethanol 768.41
    tert-butanol 1453.8
    MTBE 1298.88
    2-butoxyethanol 521.25
    propionic acid 406.41
    o-xylene 453.88
    formic acid 137.52
    diethyl ether 669.84
    m-xylene 479.97
    p-xylene 685.14
    chlorobenzene 580.87
    dimethyl carbonate 158.07
    n-octane 59.29
    formamide 152.06
    cyclopentanone 792.38
    2-pentanone 556.54
    anisole 547.61
    cyclopentyl methyl ether 707.48
    gamma-butyrolactone 686.45
    1-methoxy-2-propanol 644.93
    pyridine 861.1
    3-pentanone 401.69
    furfural 632.65
    n-dodecane 50.47
    diethylene glycol 373.31
    diisopropyl ether 283.96
    tert-amyl alcohol 1611.4
    acetylacetone 496.53
    n-hexadecane 56.35
    acetophenone 467.4
    methyl propionate 379.19
    isopentyl acetate 636.45
    trichloroethylene 1523.08
    n-nonanol 410.46
    cyclohexanol 873.3
    benzyl alcohol 521.13
    2-ethylhexanol 509.42
    isooctanol 371.22
    dipropyl ether 313.07
    1,2-dichlorobenzene 515.17
    ethyl lactate 210.21
    propylene carbonate 527.21
    n-methylformamide 274.95
    2-pentanol 776.84
    n-pentane 152.6
    1-propoxy-2-propanol 600.3
    1-methoxy-2-propyl acetate 454.23
    2-(2-methoxypropoxy) propanol 449.35
    mesitylene 292.47
    ε-caprolactone 933.19
    p-cymene 238.48
    epichlorohydrin 953.82
    1,1,1-trichloroethane 1119.39
    2-aminoethanol 250.15
    morpholine-4-carbaldehyde 823.75
    sulfolane 642.72
    2,2,4-trimethylpentane 125.29
    2-methyltetrahydrofuran 1302.2
    n-hexyl acetate 668.32
    isooctane 80.6
    2-(2-butoxyethoxy)ethanol 544.88
    sec-butyl acetate 415.28
    tert-butyl acetate 564.12
    decalin 150.99
    glycerin 212.66
    diglyme 802.37
    acrylic acid 267.06
    isopropyl myristate 261.19
    n-butyric acid 747.08
    acetyl acetate 379.92
    di(2-ethylhexyl) phthalate 262.58
    ethyl propionate 352.9
    nitromethane 455.5
    1,2-diethoxyethane 525.33
    benzonitrile 530.52
    trioctyl phosphate 197.83
    1-bromopropane 769.89
    gamma-valerolactone 1000.55
    n-decanol 292.12
    triethyl phosphate 192.63
    4-methyl-2-pentanol 450.18
    propionitrile 442.69
    vinylene carbonate 479.32
    1,1,2-trichlorotrifluoroethane 656.6
    DMS 349.04
    cumene 313.16
    2-octanol 395.91
    2-hexanone 534.82
    octyl acetate 341.96
    limonene 353.14
    1,2-dimethoxyethane 939.95
    ethyl orthosilicate 211.91
    tributyl phosphate 226.48
    diacetone alcohol 573.37
    N,N-dimethylaniline 447.19
    acrylonitrile 379.5
    aniline 549.11
    1,3-propanediol 422.08
    bromobenzene 636.22
    dibromomethane 1164.87
    1,1,2,2-tetrachloroethane 1470.48
    2-methyl-cyclohexyl acetate 412.89
    tetrabutyl urea 260.51
    diisobutyl methanol 255.66
    2-phenylethanol 548.62
    styrene 489.22
    dioctyl adipate 332.92
    dimethyl sulfate 216.42
    ethyl butyrate 370.83
    methyl lactate 199.18
    butyl lactate 336.52
    diethyl carbonate 252.48
    propanediol butyl ether 504.22
    triethyl orthoformate 281.98
    p-tert-butyltoluene 239.47
    methyl 4-tert-butylbenzoate 454.2
    morpholine 1385.99
    tert-butylamine 1026.33
    n-dodecanol 216.88
    dimethoxymethane 468.79
    ethylene carbonate 398.8
    cyrene 397.74
    2-ethoxyethyl acetate 445.88
    2-ethylhexyl acetate 517.88
    1,2,4-trichlorobenzene 612.79
    4-methylpyridine 1207.47
    dibutyl ether 372.5
    2,6-dimethyl-4-heptanol 255.66
    DEF 606.77
    dimethyl isosorbide 644.06
    tetrachloroethylene 893.44
    eugenol 420.82
    triacetin 432.22
    span 80 490.32
    1,4-butanediol 230.4
    1,1-dichloroethane 1140.85
    2-methyl-1-pentanol 826.26
    methyl formate 205.28
    2-methyl-1-butanol 853.23
    n-decane 87.02
    butyronitrile 642.48
    3,7-dimethyl-1-octanol 445.68
    1-chlorooctane 293.0
    1-chlorotetradecane 120.23
    n-nonane 84.16
    undecane 63.27
    tert-butylcyclohexane 156.11
    cyclooctane 88.76
    cyclopentanol 723.01
    tetrahydropyran 1380.89
    tert-amyl methyl ether 897.92
    2,5,8-trioxanonane 531.28
    1-hexene 578.33
    2-isopropoxyethanol 497.33
    2,2,2-trifluoroethanol 139.86
    methyl butyrate 512.35

    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