3-Methoxybenzaldehyde

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  • Identifiers

    CAS number
    591-31-1

    Molecular formula
    C8H8O2

    SMILES
    COC1=CC=CC(=C1)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 94.13%
    Floral 74.97%
    Vanilla 65.25%
    Anisic 65.03%
    Cherry 62.01%
    Spicy 61.72%
    Powdery 57.96%
    Almond 57.21%
    Hawthorn 51.38%
    Cinnamon 49.61%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 143.00 °C. @ 50.00 mm Hg

    Flash point est.
    95.33 ˚C

  • Synonyms

    • 3-Methoxybenzaldehyde
    • 591-31-1
    • M-ANISALDEHYDE
    • m-Methoxybenzaldehyde
    • Benzaldehyde, 3-methoxy-
    • 3-Anisaldehyde
    • Metamethoxybenzaldehyde
    • 3-Methoxy-benzaldehyde
    • CCRIS 960
    • MFCD00003361
    • META-ANISALDEHYDE
    • UNII-8ZAO7S0IVH
    • 8ZAO7S0IVH
    • m-Anisic aldehyde
    • EINECS 209-712-8
    • NSC 43794
    • BRN 0606013
    • DTXSID5044447
    • m-Anisaldehyde, 8CI
    • AI3-52556
    • meta-methoxybenzaldehyde
    • ANISALDEHYDE, M-
    • NSC-43794
    • BENZALDEHYDE, M-METHOXY-
    • DTXCID3024447
    • CHEBI:136805
    • 3-METHOXYPHENYLCARBOXALDEHYDE
    • 4-08-00-00241 (Beilstein Handbook Reference)
    • 3-Methoxy benzaldehyde
    • m-anisaldeyde
    • m-anis-aldehyde
    • 3-methoxybenzaldehde
    • 3-methoxybenzaldhyde
    • 5-methoxybenzaldehyde
    • 3-methyoxybenzaldehyde
    • m-Methoxy benzaldehyde
    • m-Anisaldehyde, 97%
    • 3-(methyloxy)benzaldehyde
    • (3-methoxyphenyl)methanone
    • m-Anisaldehyde, >=97%
    • SCHEMBL23188
    • CHEMBL22585
    • NSC43794
    • STR00150
    • Tox21_302136
    • STK397887
    • 3-Methoxybenzaldehyde; m-Anisaldehyde
    • AKOS000119666
    • AB00318
    • AC-2427
    • CS-W007346
    • FM37489
    • HY-W007346
    • PS-3206
    • NCGC00255778-01
    • CAS-591-31-1
    • SY001070
    • DB-024443
    • A0478
    • NS00018668
    • EN300-16136
    • D70836
    • A832179
    • doi:10.14272/WMPDAIZRQDCGFH-UHFFFAOYSA-N.1
    • Q27271232
    • Z53836050
    • F2190-0576
    • 209-712-8
    • 5991-31-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 395.19
    methanol 329.58
    isopropanol 276.05
    water 3.44
    ethyl acetate 926.02
    n-propanol 332.87
    acetone 993.19
    n-butanol 222.59
    acetonitrile 1372.34
    DMF 716.69
    toluene 193.93
    isobutanol 208.57
    1,4-dioxane 1056.1
    methyl acetate 1137.32
    THF 1052.09
    2-butanone 773.24
    n-pentanol 143.28
    sec-butanol 241.43
    n-hexane 16.05
    ethylene glycol 183.1
    NMP 559.0
    cyclohexane 35.44
    DMSO 1367.17
    n-butyl acetate 273.55
    n-octanol 76.29
    chloroform 1575.4
    n-propyl acetate 407.88
    acetic acid 560.15
    dichloromethane 2223.08
    cyclohexanone 682.96
    propylene glycol 149.93
    isopropyl acetate 319.0
    DMAc 580.33
    2-ethoxyethanol 411.37
    isopentanol 166.07
    n-heptane 20.65
    ethyl formate 509.97
    1,2-dichloroethane 1449.89
    n-hexanol 134.53
    2-methoxyethanol 641.79
    isobutyl acetate 200.73
    tetrachloromethane 201.33
    n-pentyl acetate 135.8
    transcutol 926.26
    n-heptanol 62.19
    ethylbenzene 111.32
    MIBK 220.33
    2-propoxyethanol 305.58
    tert-butanol 393.19
    MTBE 353.51
    2-butoxyethanol 162.84
    propionic acid 493.93
    o-xylene 133.03
    formic acid 219.28
    diethyl ether 458.39
    m-xylene 128.22
    p-xylene 146.49
    chlorobenzene 333.0
    dimethyl carbonate 295.06
    n-octane 10.51
    formamide 554.21
    cyclopentanone 917.09
    2-pentanone 450.67
    anisole 354.2
    cyclopentyl methyl ether 382.96
    gamma-butyrolactone 1263.77
    1-methoxy-2-propanol 368.63
    pyridine 759.32
    3-pentanone 387.14
    furfural 884.54
    n-dodecane 11.04
    diethylene glycol 303.38
    diisopropyl ether 94.55
    tert-amyl alcohol 280.17
    acetylacetone 589.04
    n-hexadecane 12.63
    acetophenone 287.85
    methyl propionate 605.51
    isopentyl acetate 214.77
    trichloroethylene 2233.83
    n-nonanol 68.76
    cyclohexanol 212.59
    benzyl alcohol 202.44
    2-ethylhexanol 88.33
    isooctanol 57.09
    dipropyl ether 146.07
    1,2-dichlorobenzene 299.9
    ethyl lactate 150.9
    propylene carbonate 542.84
    n-methylformamide 572.03
    2-pentanol 140.6
    n-pentane 17.2
    1-propoxy-2-propanol 188.65
    1-methoxy-2-propyl acetate 261.29
    2-(2-methoxypropoxy) propanol 193.42
    mesitylene 83.11
    ε-caprolactone 555.17
    p-cymene 64.81
    epichlorohydrin 1576.71
    1,1,1-trichloroethane 996.58
    2-aminoethanol 239.42
    morpholine-4-carbaldehyde 671.79
    sulfolane 1058.33
    2,2,4-trimethylpentane 15.5
    2-methyltetrahydrofuran 750.88
    n-hexyl acetate 188.71
    isooctane 12.54
    2-(2-butoxyethoxy)ethanol 247.59
    sec-butyl acetate 226.62
    tert-butyl acetate 301.07
    decalin 26.6
    glycerin 216.79
    diglyme 579.9
    acrylic acid 429.56
    isopropyl myristate 84.52
    n-butyric acid 446.28
    acetyl acetate 475.16
    di(2-ethylhexyl) phthalate 71.79
    ethyl propionate 334.33
    nitromethane 1668.51
    1,2-diethoxyethane 297.09
    benzonitrile 321.92
    trioctyl phosphate 53.56
    1-bromopropane 489.12
    gamma-valerolactone 926.23
    n-decanol 54.66
    triethyl phosphate 116.54
    4-methyl-2-pentanol 79.59
    propionitrile 671.45
    vinylene carbonate 497.17
    1,1,2-trichlorotrifluoroethane 675.86
    DMS 296.32
    cumene 74.73
    2-octanol 48.69
    2-hexanone 307.99
    octyl acetate 103.16
    limonene 87.61
    1,2-dimethoxyethane 649.15
    ethyl orthosilicate 100.77
    tributyl phosphate 72.71
    diacetone alcohol 298.99
    N,N-dimethylaniline 178.53
    acrylonitrile 884.41
    aniline 264.19
    1,3-propanediol 310.78
    bromobenzene 360.88
    dibromomethane 1152.94
    1,1,2,2-tetrachloroethane 1232.37
    2-methyl-cyclohexyl acetate 147.51
    tetrabutyl urea 93.44
    diisobutyl methanol 63.43
    2-phenylethanol 165.32
    styrene 156.22
    dioctyl adipate 128.82
    dimethyl sulfate 439.29
    ethyl butyrate 229.37
    methyl lactate 211.6
    butyl lactate 101.71
    diethyl carbonate 186.36
    propanediol butyl ether 142.75
    triethyl orthoformate 137.49
    p-tert-butyltoluene 62.34
    methyl 4-tert-butylbenzoate 176.83
    morpholine 1057.06
    tert-butylamine 178.31
    n-dodecanol 45.54
    dimethoxymethane 499.5
    ethylene carbonate 407.62
    cyrene 211.3
    2-ethoxyethyl acetate 244.01
    2-ethylhexyl acetate 164.03
    1,2,4-trichlorobenzene 363.11
    4-methylpyridine 538.41
    dibutyl ether 121.61
    2,6-dimethyl-4-heptanol 63.43
    DEF 493.17
    dimethyl isosorbide 342.29
    tetrachloroethylene 736.07
    eugenol 176.99
    triacetin 250.92
    span 80 130.2
    1,4-butanediol 119.09
    1,1-dichloroethane 1172.5
    2-methyl-1-pentanol 128.91
    methyl formate 547.84
    2-methyl-1-butanol 170.52
    n-decane 16.22
    butyronitrile 434.11
    3,7-dimethyl-1-octanol 83.93
    1-chlorooctane 69.56
    1-chlorotetradecane 31.92
    n-nonane 15.6
    undecane 13.18
    tert-butylcyclohexane 25.8
    cyclooctane 13.47
    cyclopentanol 286.71
    tetrahydropyran 751.03
    tert-amyl methyl ether 230.23
    2,5,8-trioxanonane 365.59
    1-hexene 81.36
    2-isopropoxyethanol 266.8
    2,2,2-trifluoroethanol 291.73
    methyl butyrate 443.72

    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
Artemisia waltonii (China) Artemisia waltonii J.R. Drumm. ex Pamp., fam. Asteraceae (Compositae) 0.58%
Kaempferia galanga rhizome (China) Kaempferia galanga L. (Alpinia sessilis Kon.), fam. Zingiberaceae 0.74%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.2%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.02%