3,4-Dimethoxyphenyl methyl ketone

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  • Identifiers

    CAS number
    1131-62-0

    Molecular formula
    C10H12O3

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 2393.0

  • Odor profile

    Sweet 89.08%
    Vanilla 79.52%
    Floral 70.92%
    Powdery 62.1%
    Balsamic 58.77%
    Creamy 54.85%
    Woody 50.72%
    Phenolic 46.7%
    Spicy 45.5%
    Anisic 44.35%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    287°C

    Flash point est.
    109.73 ˚C

  • Synonyms

    • 1131-62-0
    • 3',4'-Dimethoxyacetophenone
    • 1-(3,4-Dimethoxyphenyl)ethanone
    • 3,4-DIMETHOXYACETOPHENONE
    • Acetoveratrone
    • Ethanone, 1-(3,4-dimethoxyphenyl)-
    • 3,4-Dimethoxyphenyl methyl ketone
    • 1-(3,4-Dimethoxyphenyl)ethan-1-one
    • Acetophenone, 3',4'-dimethoxy-
    • 4-Acetylveratrole
    • MFCD00008737
    • NSC 18708
    • 5RV6436S8A
    • EINECS 214-468-0
    • 3,4-dimethoxyphenylacetal
    • NSC 16944
    • NSC-16944
    • NSC-18708
    • AI3-11163
    • DTXSID4061549
    • CHEBI:86576
    • 1-(4,5-DIMETHOXYPHENYL)ETHANONE
    • Acetophenone,4'-dimethoxy-
    • Ethanone,4-dimethoxyphenyl)-
    • UNII-5RV6436S8A
    • bmse010033
    • 3, 4-dimethoxyacetophenone
    • 3,4-dimethoxy acetophenone
    • SCHEMBL76834
    • 3',4'-dimethyoxyacetophenone
    • 3,'-4'-Dimethoxyacetophenone
    • CHEMBL4218890
    • DTXCID2033316
    • 1-(3,4-dimethoxyphenyl)-ethanone
    • NSC16944
    • NSC18708
    • STR01828
    • 3?,4?-DIMETHOXYACETOPHENONE
    • 1-(3,4-Dimethoxy-phenyl)-ethanone
    • 1-(3,4-Dimethoxyphenyl)ethanone #
    • 3',4'-Dimethoxyacetophenone, 98%
    • AC7907
    • STK399977
    • 1-(3,4-dimethoxyphenyl)-1-ethanone
    • AKOS000120461
    • CS-W005151
    • GF-0115
    • 3',4'-Dimethoxyacetophenone, >=98%
    • Acetophenone, 3',4'-dimethoxy-(8CI)
    • AC-15467
    • SY015105
    • DB-041153
    • D1878
    • NS00010736
    • EN300-16176
    • 3',4'-Dimethoxyacetophenone, analytical standard
    • 4'-Hydroxy-3'-methoxyacetophenone, methyl ether
    • AQ-917/40710349
    • Q222993
    • Z54182939
    • F0191-0032
    • 3 inverted exclamation mark ,4 inverted exclamation mark -Dimethoxyacetophenone

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 80.03
    methanol 130.85
    isopropanol 62.41
    water 4.11
    ethyl acetate 256.65
    n-propanol 67.77
    acetone 335.7
    n-butanol 58.75
    acetonitrile 415.55
    DMF 475.29
    toluene 85.27
    isobutanol 52.34
    1,4-dioxane 510.58
    methyl acetate 294.52
    THF 512.56
    2-butanone 209.82
    n-pentanol 51.93
    sec-butanol 61.24
    n-hexane 17.85
    ethylene glycol 83.18
    NMP 385.19
    cyclohexane 45.01
    DMSO 556.11
    n-butyl acetate 138.05
    n-octanol 37.87
    chloroform 840.79
    n-propyl acetate 169.67
    acetic acid 310.61
    dichloromethane 965.83
    cyclohexanone 323.62
    propylene glycol 37.8
    isopropyl acetate 127.86
    DMAc 362.47
    2-ethoxyethanol 207.51
    isopentanol 59.28
    n-heptane 14.78
    ethyl formate 221.37
    1,2-dichloroethane 598.01
    n-hexanol 56.06
    2-methoxyethanol 284.63
    isobutyl acetate 88.94
    tetrachloromethane 164.15
    n-pentyl acetate 77.21
    transcutol 316.11
    n-heptanol 34.52
    ethylbenzene 80.81
    MIBK 88.5
    2-propoxyethanol 144.76
    tert-butanol 146.17
    MTBE 145.96
    2-butoxyethanol 81.49
    propionic acid 157.36
    o-xylene 89.61
    formic acid 169.69
    diethyl ether 175.23
    m-xylene 69.66
    p-xylene 105.27
    chlorobenzene 193.15
    dimethyl carbonate 152.79
    n-octane 7.49
    formamide 350.26
    cyclopentanone 417.6
    2-pentanone 150.42
    anisole 195.35
    cyclopentyl methyl ether 178.28
    gamma-butyrolactone 589.71
    1-methoxy-2-propanol 147.59
    pyridine 293.1
    3-pentanone 161.37
    furfural 533.48
    n-dodecane 6.46
    diethylene glycol 161.75
    diisopropyl ether 52.06
    tert-amyl alcohol 112.14
    acetylacetone 259.77
    n-hexadecane 7.63
    acetophenone 191.89
    methyl propionate 196.83
    isopentyl acetate 114.06
    trichloroethylene 972.26
    n-nonanol 35.61
    cyclohexanol 101.37
    benzyl alcohol 126.27
    2-ethylhexanol 49.25
    isooctanol 32.18
    dipropyl ether 80.19
    1,2-dichlorobenzene 231.75
    ethyl lactate 86.65
    propylene carbonate 279.7
    n-methylformamide 276.53
    2-pentanol 42.58
    n-pentane 13.63
    1-propoxy-2-propanol 86.21
    1-methoxy-2-propyl acetate 133.0
    2-(2-methoxypropoxy) propanol 101.8
    mesitylene 54.82
    ε-caprolactone 273.8
    p-cymene 49.45
    epichlorohydrin 586.07
    1,1,1-trichloroethane 485.3
    2-aminoethanol 75.26
    morpholine-4-carbaldehyde 448.89
    sulfolane 576.55
    2,2,4-trimethylpentane 11.54
    2-methyltetrahydrofuran 300.11
    n-hexyl acetate 101.54
    isooctane 7.03
    2-(2-butoxyethoxy)ethanol 109.54
    sec-butyl acetate 103.98
    tert-butyl acetate 150.94
    decalin 25.31
    glycerin 98.77
    diglyme 309.93
    acrylic acid 186.81
    isopropyl myristate 46.52
    n-butyric acid 156.56
    acetyl acetate 226.15
    di(2-ethylhexyl) phthalate 48.07
    ethyl propionate 162.38
    nitromethane 749.45
    1,2-diethoxyethane 134.68
    benzonitrile 191.89
    trioctyl phosphate 32.54
    1-bromopropane 178.77
    gamma-valerolactone 472.09
    n-decanol 27.7
    triethyl phosphate 93.77
    4-methyl-2-pentanol 31.18
    propionitrile 212.28
    vinylene carbonate 309.62
    1,1,2-trichlorotrifluoroethane 395.04
    DMS 161.38
    cumene 59.09
    2-octanol 27.13
    2-hexanone 126.39
    octyl acetate 55.19
    limonene 64.67
    1,2-dimethoxyethane 417.07
    ethyl orthosilicate 81.37
    tributyl phosphate 45.9
    diacetone alcohol 128.99
    N,N-dimethylaniline 133.94
    acrylonitrile 302.38
    aniline 134.73
    1,3-propanediol 106.44
    bromobenzene 209.69
    dibromomethane 546.66
    1,1,2,2-tetrachloroethane 644.85
    2-methyl-cyclohexyl acetate 105.85
    tetrabutyl urea 60.9
    diisobutyl methanol 35.09
    2-phenylethanol 99.37
    styrene 102.06
    dioctyl adipate 78.51
    dimethyl sulfate 265.92
    ethyl butyrate 128.53
    methyl lactate 105.12
    butyl lactate 54.65
    diethyl carbonate 120.3
    propanediol butyl ether 61.36
    triethyl orthoformate 97.29
    p-tert-butyltoluene 46.65
    methyl 4-tert-butylbenzoate 120.0
    morpholine 410.3
    tert-butylamine 83.17
    n-dodecanol 23.05
    dimethoxymethane 298.03
    ethylene carbonate 246.38
    cyrene 149.33
    2-ethoxyethyl acetate 119.26
    2-ethylhexyl acetate 100.7
    1,2,4-trichlorobenzene 262.63
    4-methylpyridine 233.55
    dibutyl ether 65.81
    2,6-dimethyl-4-heptanol 35.09
    DEF 218.54
    dimethyl isosorbide 208.55
    tetrachloroethylene 511.92
    eugenol 107.71
    triacetin 143.7
    span 80 67.44
    1,4-butanediol 46.92
    1,1-dichloroethane 403.63
    2-methyl-1-pentanol 56.22
    methyl formate 301.3
    2-methyl-1-butanol 55.14
    n-decane 10.38
    butyronitrile 164.78
    3,7-dimethyl-1-octanol 40.44
    1-chlorooctane 41.35
    1-chlorotetradecane 18.94
    n-nonane 9.97
    undecane 7.85
    tert-butylcyclohexane 19.35
    cyclooctane 15.41
    cyclopentanol 121.04
    tetrahydropyran 284.88
    tert-amyl methyl ether 113.7
    2,5,8-trioxanonane 197.37
    1-hexene 48.28
    2-isopropoxyethanol 129.24
    2,2,2-trifluoroethanol 194.43
    methyl butyrate 199.28

    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
Ocimum gratissimum (Cuba) 2a Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 1.6%
Ocimum gratissimum (Cuba) 2b Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 1.7%
Ocimum gratissimum (Cuba) 2c Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 5.7%