Propenyltrimethoxybenzol

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C12H16O3

    SMILES
    CC=CC1=C(C(=C(C=C1)OC)OC)OC

  • Odor profile

    Spicy 83.76%
    Floral 54.17%
    Woody 51.7%
    Phenolic 47.69%
    Sweet 45.93%
    Clove 44.84%
    Smoky 42.87%
    Warm 38.67%
    Herbal 37.78%
    Balsamic 35.01%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    208.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    288°C

    Flash point est.
    109.37 ˚C

  • Synonyms

    • Propenyltrimethoxybenzol
    • SCHEMBL7862304

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 652.9
    methanol 580.02
    isopropanol 469.24
    water 2.01
    ethyl acetate 1648.73
    n-propanol 575.13
    acetone 2214.96
    n-butanol 492.02
    acetonitrile 1928.53
    DMF 2177.57
    toluene 561.68
    isobutanol 414.35
    1,4-dioxane 2569.81
    methyl acetate 1876.57
    THF 2367.11
    2-butanone 1255.38
    n-pentanol 362.48
    sec-butanol 459.12
    n-hexane 91.13
    ethylene glycol 413.32
    NMP 1474.87
    cyclohexane 396.27
    DMSO 1767.11
    n-butyl acetate 772.73
    n-octanol 253.17
    chloroform 4957.77
    n-propyl acetate 847.74
    acetic acid 1611.26
    dichloromethane 5777.81
    cyclohexanone 1943.43
    propylene glycol 306.63
    isopropyl acetate 683.98
    DMAc 1045.92
    2-ethoxyethanol 897.78
    isopentanol 381.08
    n-heptane 106.0
    ethyl formate 1495.64
    1,2-dichloroethane 3645.07
    n-hexanol 419.94
    2-methoxyethanol 1471.51
    isobutyl acetate 396.0
    tetrachloromethane 1233.23
    n-pentyl acetate 509.63
    transcutol 885.0
    n-heptanol 258.3
    ethylbenzene 300.22
    MIBK 442.05
    2-propoxyethanol 776.9
    tert-butanol 577.91
    MTBE 574.62
    2-butoxyethanol 472.11
    propionic acid 1002.72
    o-xylene 349.52
    formic acid 496.05
    diethyl ether 1026.76
    m-xylene 344.14
    p-xylene 395.52
    chlorobenzene 1311.32
    dimethyl carbonate 930.52
    n-octane 62.33
    formamide 1020.06
    cyclopentanone 2430.02
    2-pentanone 982.07
    anisole 656.57
    cyclopentyl methyl ether 1000.93
    gamma-butyrolactone 3164.1
    1-methoxy-2-propanol 843.65
    pyridine 2037.93
    3-pentanone 860.45
    furfural 2427.16
    n-dodecane 45.59
    diethylene glycol 754.86
    diisopropyl ether 256.69
    tert-amyl alcohol 464.26
    acetylacetone 1338.67
    n-hexadecane 53.68
    acetophenone 651.2
    methyl propionate 1346.95
    isopentyl acetate 541.33
    trichloroethylene 6144.14
    n-nonanol 219.07
    cyclohexanol 744.56
    benzyl alcohol 602.33
    2-ethylhexanol 294.96
    isooctanol 201.02
    dipropyl ether 406.28
    1,2-dichlorobenzene 1245.55
    ethyl lactate 413.14
    propylene carbonate 1844.65
    n-methylformamide 1516.4
    2-pentanol 341.15
    n-pentane 108.66
    1-propoxy-2-propanol 490.97
    1-methoxy-2-propyl acetate 608.66
    2-(2-methoxypropoxy) propanol 272.51
    mesitylene 243.05
    ε-caprolactone 1627.53
    p-cymene 219.43
    epichlorohydrin 3248.93
    1,1,1-trichloroethane 3272.35
    2-aminoethanol 467.9
    morpholine-4-carbaldehyde 1582.33
    sulfolane 2887.81
    2,2,4-trimethylpentane 61.88
    2-methyltetrahydrofuran 1550.46
    n-hexyl acetate 605.1
    isooctane 47.56
    2-(2-butoxyethoxy)ethanol 408.39
    sec-butyl acetate 409.56
    tert-butyl acetate 574.72
    decalin 135.62
    glycerin 480.71
    diglyme 1072.82
    acrylic acid 1092.91
    isopropyl myristate 214.18
    n-butyric acid 1162.02
    acetyl acetate 1211.4
    di(2-ethylhexyl) phthalate 200.68
    ethyl propionate 742.72
    nitromethane 3456.86
    1,2-diethoxyethane 549.58
    benzonitrile 978.28
    trioctyl phosphate 182.93
    1-bromopropane 1214.02
    gamma-valerolactone 2378.32
    n-decanol 169.5
    triethyl phosphate 303.14
    4-methyl-2-pentanol 180.91
    propionitrile 1044.66
    vinylene carbonate 1760.25
    1,1,2-trichlorotrifluoroethane 2247.11
    DMS 686.1
    cumene 201.53
    2-octanol 192.9
    2-hexanone 578.01
    octyl acetate 302.02
    limonene 303.52
    1,2-dimethoxyethane 1503.78
    ethyl orthosilicate 276.41
    tributyl phosphate 211.73
    diacetone alcohol 558.56
    N,N-dimethylaniline 351.58
    acrylonitrile 1579.9
    aniline 735.5
    1,3-propanediol 654.14
    bromobenzene 1435.98
    dibromomethane 3328.32
    1,1,2,2-tetrachloroethane 4322.4
    2-methyl-cyclohexyl acetate 386.7
    tetrabutyl urea 258.56
    diisobutyl methanol 165.89
    2-phenylethanol 503.81
    styrene 444.04
    dioctyl adipate 321.59
    dimethyl sulfate 1198.24
    ethyl butyrate 591.26
    methyl lactate 571.95
    butyl lactate 316.66
    diethyl carbonate 496.4
    propanediol butyl ether 343.05
    triethyl orthoformate 392.99
    p-tert-butyltoluene 202.85
    methyl 4-tert-butylbenzoate 431.31
    morpholine 2216.75
    tert-butylamine 355.95
    n-dodecanol 136.04
    dimethoxymethane 1609.61
    ethylene carbonate 1549.38
    cyrene 452.64
    2-ethoxyethyl acetate 621.22
    2-ethylhexyl acetate 461.28
    1,2,4-trichlorobenzene 1355.44
    4-methylpyridine 1340.1
    dibutyl ether 303.5
    2,6-dimethyl-4-heptanol 165.89
    DEF 1085.55
    dimethyl isosorbide 591.58
    tetrachloroethylene 3262.09
    eugenol 384.04
    triacetin 536.46
    span 80 287.22
    1,4-butanediol 340.53
    1,1-dichloroethane 2705.19
    2-methyl-1-pentanol 296.31
    methyl formate 1795.13
    2-methyl-1-butanol 392.04
    n-decane 73.58
    butyronitrile 992.42
    3,7-dimethyl-1-octanol 201.86
    1-chlorooctane 266.7
    1-chlorotetradecane 116.42
    n-nonane 77.06
    undecane 56.45
    tert-butylcyclohexane 98.1
    cyclooctane 138.13
    cyclopentanol 911.4
    tetrahydropyran 1754.55
    tert-amyl methyl ether 433.1
    2,5,8-trioxanonane 543.59
    1-hexene 242.65
    2-isopropoxyethanol 521.35
    2,2,2-trifluoroethanol 801.06
    methyl butyrate 984.01

    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

Botanical

Name CAS Botanical Proportion
Nutmeg 5a 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.32%
Nutmeg 5b 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.35%