Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    67785-72-2

    Molecular formula
    C12H18O2

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

  • Odor profile

    Fragrance
    Green 78.87%
    Herbal 56.0%
    Spicy 53.9%
    Earthy 49.05%
    Floral 48.91%
    Fresh 44.41%
    Woody 40.55%
    Leafy 38.03%
    Cortex 32.46%
    Vegetable 27.75%

     

    Flavor
    Green 74.89%
    Floral 50.16%
    Fruity 49.15%
    Earthy 38.72%
    Herbal 38.47%
    Spicy 32.56%
    Tropical 30.95%
    Musty 28.35%
    Leaf 26.8%
    Oily 26.17%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.62 (neutral)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point

    • 100.6 ˚C est.

  • Synonyms

    • p-(Dimethoxymethyl) cumene
    • 67785-72-2
    • Cuminaldehyde dimethyl acetal
    • Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)-
    • Cuminic aldehyde dimethyl acetal
    • SCHEMBL250661
    • DTXSID4070582
    • MKTYGYDXBXBRFK-UHFFFAOYSA-N

  • Applications

    Applications of Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)- (CAS number: 67785-72-2) are mainly as a chemical intermediate and building block for aroma-related compounds. In the fragrance and flavor industries, it is commonly used as a precursor to more complex aroma chemicals or as a basis for specific odor-active components. In cosmetics and personal care, fragrance-related derivatives may serve as part of formulations to impart scent. In industrial manufacturing, polymers, and plastics, it acts as a precursor for aryl monomers and additives; in coatings and inks, it is used as a feedstock for resin systems and colorants; and more broadly in chemical synthesis, it may be employed as an intermediate in the preparation of other organic compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1057.48
    methanol 895.94
    isopropanol 825.18
    water 1.61
    ethyl acetate 2578.84
    n-propanol 1018.17
    acetone 2968.03
    n-butanol 1044.98
    acetonitrile 2428.09
    DMF 3169.8
    toluene 993.36
    isobutanol 871.33
    1,4-dioxane 2574.92
    methyl acetate 1907.71
    THF 2970.72
    2-butanone 2091.01
    n-pentanol 762.26
    sec-butanol 886.64
    n-hexane 393.55
    ethylene glycol 225.88
    NMP 2623.96
    cyclohexane 563.4
    DMSO 3432.18
    n-butyl acetate 1762.09
    n-octanol 316.61
    chloroform 7842.59
    n-propyl acetate 1315.37
    acetic acid 1746.82
    dichloromethane 8387.84
    cyclohexanone 2723.59
    propylene glycol 292.96
    isopropyl acetate 1404.88
    DMAc 1783.59
    2-ethoxyethanol 1426.59
    isopentanol 1078.04
    n-heptane 157.9
    ethyl formate 1346.5
    1,2-dichloroethane 6254.67
    n-hexanol 775.01
    2-methoxyethanol 1880.12
    isobutyl acetate 709.07
    tetrachloromethane 1877.15
    n-pentyl acetate 784.78
    transcutol 4234.75
    n-heptanol 333.7
    ethylbenzene 566.67
    MIBK 1104.64
    2-propoxyethanol 1353.91
    tert-butanol 1504.54
    MTBE 2171.66
    2-butoxyethanol 701.84
    propionic acid 1155.16
    o-xylene 641.75
    formic acid 593.39
    diethyl ether 2754.77
    m-xylene 723.99
    p-xylene 647.48
    chlorobenzene 2103.03
    dimethyl carbonate 1007.56
    n-octane 58.11
    formamide 1352.71
    cyclopentanone 3143.17
    2-pentanone 1964.7
    anisole 1279.52
    cyclopentyl methyl ether 2202.83
    gamma-butyrolactone 3526.61
    1-methoxy-2-propanol 1398.31
    pyridine 2359.06
    3-pentanone 1845.89
    furfural 2782.68
    n-dodecane 30.82
    diethylene glycol 847.74
    diisopropyl ether 789.52
    tert-amyl alcohol 1342.06
    acetylacetone 2048.48
    n-hexadecane 37.88
    acetophenone 1002.17
    methyl propionate 2032.57
    isopentyl acetate 1343.68
    trichloroethylene 10120.53
    n-nonanol 282.4
    cyclohexanol 1186.27
    benzyl alcohol 765.46
    2-ethylhexanol 572.69
    isooctanol 308.8
    dipropyl ether 956.9
    1,2-dichlorobenzene 2079.8
    ethyl lactate 487.16
    propylene carbonate 1837.9
    n-methylformamide 1796.72
    2-pentanol 906.5
    n-pentane 332.51
    1-propoxy-2-propanol 1028.09
    1-methoxy-2-propyl acetate 1402.62
    2-(2-methoxypropoxy) propanol 636.79
    mesitylene 500.35
    ε-caprolactone 2092.14
    p-cymene 361.98
    epichlorohydrin 4870.63
    1,1,1-trichloroethane 5503.27
    2-aminoethanol 508.68
    morpholine-4-carbaldehyde 2316.67
    sulfolane 4382.59
    2,2,4-trimethylpentane 187.56
    2-methyltetrahydrofuran 2637.54
    n-hexyl acetate 1021.58
    isooctane 135.48
    2-(2-butoxyethoxy)ethanol 924.59
    sec-butyl acetate 876.26
    tert-butyl acetate 1694.51
    decalin 238.59
    glycerin 455.64
    diglyme 2173.56
    acrylic acid 1071.4
    isopropyl myristate 325.76
    n-butyric acid 1658.49
    acetyl acetate 1484.55
    di(2-ethylhexyl) phthalate 278.68
    ethyl propionate 1197.41
    nitromethane 4171.37
    1,2-diethoxyethane 1728.06
    benzonitrile 1169.19
    trioctyl phosphate 223.93
    1-bromopropane 2970.91
    gamma-valerolactone 3172.63
    n-decanol 193.73
    triethyl phosphate 481.29
    4-methyl-2-pentanol 506.03
    propionitrile 1631.25
    vinylene carbonate 1743.22
    1,1,2-trichlorotrifluoroethane 3206.42
    DMS 1024.67
    cumene 387.4
    2-octanol 243.72
    2-hexanone 1131.24
    octyl acetate 421.3
    limonene 587.31
    1,2-dimethoxyethane 2185.08
    ethyl orthosilicate 499.03
    tributyl phosphate 337.72
    diacetone alcohol 1377.31
    N,N-dimethylaniline 776.14
    acrylonitrile 1943.53
    aniline 1266.52
    1,3-propanediol 815.45
    bromobenzene 2467.99
    dibromomethane 5599.63
    1,1,2,2-tetrachloroethane 7577.29
    2-methyl-cyclohexyl acetate 726.57
    tetrabutyl urea 391.71
    diisobutyl methanol 348.6
    2-phenylethanol 705.12
    styrene 785.64
    dioctyl adipate 464.61
    dimethyl sulfate 1617.09
    ethyl butyrate 1088.05
    methyl lactate 632.64
    butyl lactate 542.35
    diethyl carbonate 769.4
    propanediol butyl ether 573.56
    triethyl orthoformate 764.51
    p-tert-butyltoluene 359.52
    methyl 4-tert-butylbenzoate 694.6
    morpholine 2879.65
    tert-butylamine 1174.88
    n-dodecanol 142.08
    dimethoxymethane 2090.95
    ethylene carbonate 1466.45
    cyrene 687.63
    2-ethoxyethyl acetate 1218.67
    2-ethylhexyl acetate 1133.96
    1,2,4-trichlorobenzene 2232.6
    4-methylpyridine 2322.71
    dibutyl ether 696.91
    2,6-dimethyl-4-heptanol 348.6
    DEF 2370.09
    dimethyl isosorbide 1270.46
    tetrachloroethylene 4906.96
    eugenol 639.86
    triacetin 859.59
    span 80 536.11
    1,4-butanediol 347.57
    1,1-dichloroethane 4971.23
    2-methyl-1-pentanol 777.12
    methyl formate 1524.4
    2-methyl-1-butanol 1012.21
    n-decane 63.35
    butyronitrile 1620.53
    3,7-dimethyl-1-octanol 391.46
    1-chlorooctane 375.32
    1-chlorotetradecane 126.46
    n-nonane 67.77
    undecane 42.03
    tert-butylcyclohexane 222.25
    cyclooctane 200.62
    cyclopentanol 1058.36
    tetrahydropyran 2730.77
    tert-amyl methyl ether 1636.89
    2,5,8-trioxanonane 1113.89
    1-hexene 933.36
    2-isopropoxyethanol 928.68
    2,2,2-trifluoroethanol 861.55
    methyl butyrate 1499.36

    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