m-Tolualdehyde

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  • Identifiers

    CAS number
    620-23-5

    Molecular formula
    C8H8O

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1067.0

  • Odor profile

    Sweet 90.8%
    Fruity 84.14%
    Cherry 79.37%
    Almond 78.58%
    Bitter 66.21%
    Phenolic 46.2%
    Spicy 45.84%
    Powdery 43.55%
    Cinnamon 41.61%
    Nutty 41.01%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.38 (neutral)

    Molecular weight
    120.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • < 25 °C

    Boiling point

    • 199 °C
    • 199.00 °C. @ 760.00 mm Hg

    Flash point est.
    74.13 ˚C

    Solubility expt.

    • Miscible with ethanol, ethyl ether; very soluble in acetone; soluble in benzene, chloroform

  • Synonyms

    • 3-Methylbenzaldehyde
    • M-TOLUALDEHYDE
    • 620-23-5
    • 3-tolualdehyde
    • Benzaldehyde, 3-methyl-
    • m-Methylbenzaldehyde
    • 3-Tolylaldehyde
    • m-Tolyl aldehyde
    • m-Toluylaldehyde
    • 3-methyl-benzaldehyde
    • m-tolylaldehyde
    • M-Tolualdehyde, stabilized
    • NSC 1244
    • EINECS 210-632-0
    • MFCD00003374
    • NSC 89859
    • OWH6650C4Y
    • M-FORMYLTOLUENE
    • AI3-02278
    • HSDB 7691
    • TOLUALDEHYDE,M-
    • NSC-1244
    • TOLUALDEHYDE, M-
    • NSC-89859
    • DTXSID6060717
    • CHEBI:28476
    • 3-METHYLPHENYLCARBOXALDEHYDE
    • 3-METHYLBENZALDEHYDE [HSDB]
    • FEMA NO. 3068, M-
    • 3-methyl benzaldehyde
    • UNII-OWH6650C4Y
    • metatolualdehyde
    • m-toluic aldehyde
    • m-Tolualdehyde, b
    • m-methyl benzaldehyde
    • meta-methylbenzaldehyde
    • m-Tolualdehyde, 97%
    • META TOLUALDEHYDE
    • benzaldehyde, m-methyl-
    • bmse000552
    • NCIOpen2_001577
    • 3-CH3C6H4CHO
    • SCHEMBL65797
    • 3-Methylbenzaldehyde, stab. with 0.1% hydroquinone
    • CHEMBL4475423
    • DTXCID1043203
    • BDBM85649
    • NSC1244
    • m-Tolualdehyde, analytical standard
    • NSC89859
    • AC8308
    • STL194066
    • AKOS000119450
    • AC-2438
    • FM33931
    • AS-14544
    • HY-78086
    • SY001146
    • CS-0007820
    • NS00013241
    • T0258
    • EN300-20440
    • C07209
    • doi:10.14272/OVWYEQOVUDKZNU-UHFFFAOYSA-N.1
    • Q26828654
    • F2190-0581
    • Z104478208
    • 210-632-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 600.94
    methanol 709.14
    isopropanol 318.07
    water 1.97
    ethyl acetate 1038.78
    n-propanol 436.09
    acetone 753.6
    n-butanol 360.2
    acetonitrile 872.25
    DMF 1020.14
    toluene 306.04
    isobutanol 238.12
    1,4-dioxane 1293.51
    methyl acetate 874.64
    THF 877.46
    2-butanone 637.72
    n-pentanol 246.68
    sec-butanol 225.67
    n-hexane 48.87
    ethylene glycol 162.25
    NMP 450.67
    cyclohexane 47.41
    DMSO 669.4
    n-butyl acetate 479.35
    n-octanol 140.95
    chloroform 1078.83
    n-propyl acetate 383.09
    acetic acid 447.64
    dichloromethane 1019.74
    cyclohexanone 547.65
    propylene glycol 140.21
    isopropyl acetate 364.7
    DMAc 448.51
    2-ethoxyethanol 436.45
    isopentanol 261.41
    n-heptane 46.16
    ethyl formate 444.85
    1,2-dichloroethane 828.82
    n-hexanol 430.62
    2-methoxyethanol 734.78
    isobutyl acetate 201.36
    tetrachloromethane 142.8
    n-pentyl acetate 168.75
    transcutol 1681.67
    n-heptanol 146.66
    ethylbenzene 154.3
    MIBK 274.42
    2-propoxyethanol 675.71
    tert-butanol 358.13
    MTBE 358.73
    2-butoxyethanol 290.73
    propionic acid 433.28
    o-xylene 151.75
    formic acid 200.95
    diethyl ether 691.91
    m-xylene 188.91
    p-xylene 150.87
    chlorobenzene 356.52
    dimethyl carbonate 270.49
    n-octane 18.64
    formamide 361.29
    cyclopentanone 632.23
    2-pentanone 529.61
    anisole 364.82
    cyclopentyl methyl ether 391.62
    gamma-butyrolactone 749.19
    1-methoxy-2-propanol 501.67
    pyridine 666.72
    3-pentanone 381.75
    furfural 609.48
    n-dodecane 15.16
    diethylene glycol 472.74
    diisopropyl ether 139.24
    tert-amyl alcohol 230.19
    acetylacetone 525.33
    n-hexadecane 17.45
    acetophenone 265.21
    methyl propionate 641.95
    isopentyl acetate 331.35
    trichloroethylene 1239.12
    n-nonanol 123.57
    cyclohexanol 210.29
    benzyl alcohol 227.84
    2-ethylhexanol 206.46
    isooctanol 112.06
    dipropyl ether 295.96
    1,2-dichlorobenzene 284.46
    ethyl lactate 148.0
    propylene carbonate 385.49
    n-methylformamide 627.26
    2-pentanol 219.29
    n-pentane 41.68
    1-propoxy-2-propanol 403.85
    1-methoxy-2-propyl acetate 414.57
    2-(2-methoxypropoxy) propanol 271.04
    mesitylene 102.11
    ε-caprolactone 485.95
    p-cymene 85.73
    epichlorohydrin 1018.03
    1,1,1-trichloroethane 585.83
    2-aminoethanol 287.12
    morpholine-4-carbaldehyde 727.54
    sulfolane 576.6
    2,2,4-trimethylpentane 21.35
    2-methyltetrahydrofuran 551.94
    n-hexyl acetate 265.26
    isooctane 23.72
    2-(2-butoxyethoxy)ethanol 429.03
    sec-butyl acetate 226.14
    tert-butyl acetate 315.72
    decalin 34.19
    glycerin 194.46
    diglyme 762.24
    acrylic acid 345.47
    isopropyl myristate 104.11
    n-butyric acid 499.63
    acetyl acetate 383.85
    di(2-ethylhexyl) phthalate 86.8
    ethyl propionate 339.02
    nitromethane 1084.87
    1,2-diethoxyethane 555.37
    benzonitrile 299.35
    trioctyl phosphate 66.96
    1-bromopropane 420.51
    gamma-valerolactone 824.87
    n-decanol 93.76
    triethyl phosphate 102.89
    4-methyl-2-pentanol 137.31
    propionitrile 575.28
    vinylene carbonate 390.64
    1,1,2-trichlorotrifluoroethane 461.07
    DMS 249.67
    cumene 91.16
    2-octanol 87.01
    2-hexanone 337.96
    octyl acetate 131.52
    limonene 120.21
    1,2-dimethoxyethane 663.48
    ethyl orthosilicate 104.98
    tributyl phosphate 85.43
    diacetone alcohol 350.92
    N,N-dimethylaniline 182.41
    acrylonitrile 704.21
    aniline 297.94
    1,3-propanediol 355.75
    bromobenzene 363.98
    dibromomethane 665.47
    1,1,2,2-tetrachloroethane 781.17
    2-methyl-cyclohexyl acetate 164.69
    tetrabutyl urea 109.73
    diisobutyl methanol 114.16
    2-phenylethanol 273.63
    styrene 203.8
    dioctyl adipate 133.48
    dimethyl sulfate 274.57
    ethyl butyrate 298.89
    methyl lactate 204.99
    butyl lactate 139.42
    diethyl carbonate 189.62
    propanediol butyl ether 210.32
    triethyl orthoformate 163.54
    p-tert-butyltoluene 84.19
    methyl 4-tert-butylbenzoate 183.92
    morpholine 1095.45
    tert-butylamine 217.37
    n-dodecanol 71.92
    dimethoxymethane 706.62
    ethylene carbonate 329.25
    cyrene 182.43
    2-ethoxyethyl acetate 316.97
    2-ethylhexyl acetate 247.98
    1,2,4-trichlorobenzene 298.12
    4-methylpyridine 525.73
    dibutyl ether 196.13
    2,6-dimethyl-4-heptanol 114.16
    DEF 522.34
    dimethyl isosorbide 392.0
    tetrachloroethylene 494.89
    eugenol 211.67
    triacetin 221.81
    span 80 190.14
    1,4-butanediol 144.86
    1,1-dichloroethane 735.59
    2-methyl-1-pentanol 196.57
    methyl formate 480.08
    2-methyl-1-butanol 224.19
    n-decane 25.49
    butyronitrile 482.55
    3,7-dimethyl-1-octanol 152.62
    1-chlorooctane 106.55
    1-chlorotetradecane 42.36
    n-nonane 25.26
    undecane 19.21
    tert-butylcyclohexane 34.58
    cyclooctane 22.3
    cyclopentanol 207.2
    tetrahydropyran 796.68
    tert-amyl methyl ether 242.38
    2,5,8-trioxanonane 474.12
    1-hexene 186.94
    2-isopropoxyethanol 303.23
    2,2,2-trifluoroethanol 160.79
    methyl butyrate 397.41

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.085 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.96 %
Category 2
Products applied to the axillae
 0.025 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.96 %
Category 3
Products applied to the face/body using fingertips
 0.51 % Category 8
Products with significant anogenital exposure
 0.05 %
Category 4
Products related to fine fragrance
 0.47 % Category 9
Products with body and hand exposure, primarily rinse off
 0.92 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.12 % Category 10A
Household care products with mostly hand contact
 3.3 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.12 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 3.3 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.12 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 1.8 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.12 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 1.8 %
Category 6
Products with oral and lip exposure
 0.28 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Mandarin (Italy) 7 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutacaea 0.01%