3-Methylveratrole

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  • Identifiers

    CAS number
    4463-33-6

    Molecular formula
    C9H12O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Phenolic 69.47%
    Spicy 58.88%
    Earthy 58.56%
    Smoky 53.39%
    Sweet 51.92%
    Woody 48.26%
    Nutty 47.49%
    Vanilla 45.31%
    Medicinal 43.98%
    Leathery 40.77%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point est.
    74.05 ˚C

  • Synonyms

    • 2,3-Dimethoxytoluene
    • 4463-33-6
    • 1,2-Dimethoxy-3-methylbenzene
    • 3-Methylveratrole
    • Benzene, 1,2-dimethoxy-3-methyl-
    • dimethoxytoluene
    • MFCD00008379
    • 1,2-dimethoxy-3-methyl-benzene
    • EINECS 224-726-4
    • AI3-11031
    • DTXSID40196259
    • NSC 72350
    • NSC-72350
    • o-Homoveratrole
    • NSC72350
    • 2,3-dimethoxy-toluene
    • Toluene, 2,3-dimethoxy-
    • 5PN3R2H4NL
    • NCIOpen2_000509
    • 2,3-Dimethoxytoluene, 99%
    • SCHEMBL134856
    • 1-methyl-2,3-dimethoxybenzene
    • 3-Methyl-1,2-dimethoxybenzene
    • 3-Methylcatechol, dimethyl ether
    • DTXCID00118750
    • 1,2-Dimethoxy-3-methylbenzene #
    • CS-M3411
    • AKOS015889103
    • FD10457
    • FD70990
    • AS-48858
    • SY100999
    • DB-051239
    • NS00031447
    • EN300-115801
    • InChI=1/C9H12O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4-6H,1-3H
    • 224-726-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2521.75
    methanol 2888.51
    isopropanol 1795.96
    water 31.6
    ethyl acetate 4795.42
    n-propanol 2025.82
    acetone 5739.84
    n-butanol 1624.04
    acetonitrile 7849.12
    DMF 3756.8
    toluene 1197.17
    isobutanol 1455.48
    1,4-dioxane 9639.67
    methyl acetate 4667.91
    THF 6490.4
    2-butanone 3282.29
    n-pentanol 1231.86
    sec-butanol 1552.98
    n-hexane 535.01
    ethylene glycol 1107.89
    NMP 2278.05
    cyclohexane 1258.87
    DMSO 4492.24
    n-butyl acetate 2247.16
    n-octanol 698.05
    chloroform 9846.77
    n-propyl acetate 2686.05
    acetic acid 4237.14
    dichloromethane 11026.3
    cyclohexanone 4064.38
    propylene glycol 711.87
    isopropyl acetate 2125.38
    DMAc 1515.81
    2-ethoxyethanol 2854.64
    isopentanol 1186.98
    n-heptane 396.1
    ethyl formate 3374.06
    1,2-dichloroethane 7256.92
    n-hexanol 1079.62
    2-methoxyethanol 4085.56
    isobutyl acetate 1237.01
    tetrachloromethane 2908.25
    n-pentyl acetate 1178.49
    transcutol 2958.13
    n-heptanol 604.26
    ethylbenzene 767.87
    MIBK 1345.6
    2-propoxyethanol 2164.79
    tert-butanol 2226.3
    MTBE 2413.04
    2-butoxyethanol 1103.78
    propionic acid 2691.61
    o-xylene 716.65
    formic acid 1702.64
    diethyl ether 4571.87
    m-xylene 848.89
    p-xylene 1019.41
    chlorobenzene 2411.77
    dimethyl carbonate 1797.26
    n-octane 208.74
    formamide 2919.94
    cyclopentanone 4740.58
    2-pentanone 2728.74
    anisole 1756.43
    cyclopentyl methyl ether 3116.83
    gamma-butyrolactone 6778.48
    1-methoxy-2-propanol 2364.1
    pyridine 3690.97
    3-pentanone 2322.8
    furfural 4128.46
    n-dodecane 135.73
    diethylene glycol 1817.32
    diisopropyl ether 1171.7
    tert-amyl alcohol 1486.19
    acetylacetone 3044.64
    n-hexadecane 161.2
    acetophenone 1305.26
    methyl propionate 3190.07
    isopentyl acetate 1403.41
    trichloroethylene 10363.72
    n-nonanol 566.9
    cyclohexanol 1826.77
    benzyl alcohol 1132.62
    2-ethylhexanol 706.84
    isooctanol 487.65
    dipropyl ether 1608.85
    1,2-dichlorobenzene 2071.12
    ethyl lactate 914.64
    propylene carbonate 3145.52
    n-methylformamide 3670.95
    2-pentanol 1263.85
    n-pentane 546.67
    1-propoxy-2-propanol 1299.89
    1-methoxy-2-propyl acetate 1414.73
    2-(2-methoxypropoxy) propanol 637.67
    mesitylene 657.16
    ε-caprolactone 3579.31
    p-cymene 433.7
    epichlorohydrin 7346.16
    1,1,1-trichloroethane 6876.14
    2-aminoethanol 1272.78
    morpholine-4-carbaldehyde 3515.84
    sulfolane 5371.26
    2,2,4-trimethylpentane 234.65
    2-methyltetrahydrofuran 4553.09
    n-hexyl acetate 1528.57
    isooctane 215.12
    2-(2-butoxyethoxy)ethanol 1032.28
    sec-butyl acetate 1358.34
    tert-butyl acetate 1963.98
    decalin 378.83
    glycerin 1115.03
    diglyme 2720.84
    acrylic acid 2456.63
    isopropyl myristate 540.28
    n-butyric acid 2790.76
    acetyl acetate 2715.3
    di(2-ethylhexyl) phthalate 327.91
    ethyl propionate 2208.68
    nitromethane 9798.37
    1,2-diethoxyethane 1892.4
    benzonitrile 1960.23
    trioctyl phosphate 346.04
    1-bromopropane 3155.06
    gamma-valerolactone 5339.85
    n-decanol 415.69
    triethyl phosphate 596.61
    4-methyl-2-pentanol 610.38
    propionitrile 3715.62
    vinylene carbonate 3236.46
    1,1,2-trichlorotrifluoroethane 3632.64
    DMS 1429.1
    cumene 508.17
    2-octanol 524.36
    2-hexanone 1803.78
    octyl acetate 675.24
    limonene 624.93
    1,2-dimethoxyethane 4582.72
    ethyl orthosilicate 570.49
    tributyl phosphate 436.04
    diacetone alcohol 1412.74
    N,N-dimethylaniline 819.48
    acrylonitrile 4459.01
    aniline 1468.86
    1,3-propanediol 1973.18
    bromobenzene 2676.17
    dibromomethane 6922.77
    1,1,2,2-tetrachloroethane 6923.09
    2-methyl-cyclohexyl acetate 807.31
    tetrabutyl urea 502.29
    diisobutyl methanol 453.61
    2-phenylethanol 880.85
    styrene 1096.15
    dioctyl adipate 670.91
    dimethyl sulfate 2068.07
    ethyl butyrate 1551.44
    methyl lactate 1036.0
    butyl lactate 658.14
    diethyl carbonate 1113.54
    propanediol butyl ether 803.64
    triethyl orthoformate 933.06
    p-tert-butyltoluene 425.24
    methyl 4-tert-butylbenzoate 806.06
    morpholine 6949.01
    tert-butylamine 1334.28
    n-dodecanol 328.79
    dimethoxymethane 3825.63
    ethylene carbonate 3095.88
    cyrene 756.55
    2-ethoxyethyl acetate 1443.72
    2-ethylhexyl acetate 1146.92
    1,2,4-trichlorobenzene 2118.41
    4-methylpyridine 2812.58
    dibutyl ether 1073.79
    2,6-dimethyl-4-heptanol 453.61
    DEF 2496.08
    dimethyl isosorbide 1298.8
    tetrachloroethylene 5423.35
    eugenol 735.05
    triacetin 1076.64
    span 80 587.74
    1,4-butanediol 941.72
    1,1-dichloroethane 6040.71
    2-methyl-1-pentanol 849.49
    methyl formate 4116.47
    2-methyl-1-butanol 1130.3
    n-decane 233.92
    butyronitrile 3131.11
    3,7-dimethyl-1-octanol 513.21
    1-chlorooctane 734.68
    1-chlorotetradecane 290.69
    n-nonane 265.03
    undecane 173.2
    tert-butylcyclohexane 332.51
    cyclooctane 487.6
    cyclopentanol 2171.64
    tetrahydropyran 5942.15
    tert-amyl methyl ether 1499.34
    2,5,8-trioxanonane 1300.4
    1-hexene 1091.92
    2-isopropoxyethanol 1635.37
    2,2,2-trifluoroethanol 1949.83
    methyl butyrate 2669.21

    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
Laurel leaf (Turkey) 4 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.05%
Calamus (Canada) root 8015-79-0 Acorus calamus L., fam. Araceae 0.1%