2-Methylbenzaldehyde

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  • Identifiers

    CAS number
    529-20-4

    Molecular formula
    C8H8O

    SMILES
    CC1=CC=CC=C1C=O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1066.0

  • Odor profile

    Sweet 89.77%
    Almond 79.78%
    Cherry 73.78%
    Bitter 67.64%
    Phenolic 54.29%
    Spicy 51.53%
    Nutty 50.39%
    Powdery 48.38%
    Vanilla 45.87%
    Coumarinic 45.73%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    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

    • 392 to 396 °F at 760 mmHg (NTP, 1992)
    • 200 °C
    • BP: 94 °C at 10 mm Hg
    • 200.00 to 201.00 °C. @ 760.00 mm Hg

    Flash point est.
    73.6 ˚C

    Flash point expt.

    • 153 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • Slightly soluble in water; soluble in carbon tetrachloride, ethanol, ethyl ether, benzene; very soluble in acetone

  • Synonyms

    • 2-Methylbenzaldehyde
    • O-TOLUALDEHYDE
    • 529-20-4
    • 2-Tolualdehyde
    • 2-Formyltoluene
    • o-Toluylaldehyde
    • o-Tolylaldehyde
    • o-Toluic aldehyde
    • o-Methylbenzaldehyde
    • Benzaldehyde, 2-methyl-
    • 2-Methyl-Benzaldehyde
    • o-Methylbenazldehyde
    • Toluic aldehyde
    • CCRIS 4735
    • NSC 103152
    • EINECS 208-452-2
    • Q7E5H6W6BG
    • MFCD00003338
    • DTXSID1022051
    • CHEBI:27434
    • AI3-21918
    • HSDB 7690
    • o-Tolualdehyde (8CI)
    • TOLUALDEHYDE, O-
    • NSC-103152
    • O-TOLUALDEHYDE [MI]
    • DTXCID102051
    • 2-METHYLBENZALDEHYDE [HSDB]
    • FEMA NO. 3068, O-
    • CAS-529-20-4
    • o-Tolualdehyde, stabilized
    • UNII-Q7E5H6W6BG
    • oTolualdehyde
    • oToluylaldehyde
    • oTolylaldehyde
    • 2Formyltoluene
    • 2Tolualdehyde
    • oToluic aldehyde
    • Ortho-tolualdehyde
    • oMethylbenzaldehyde
    • o-Tolualdehyde, a
    • 2-methyl benzaldehyde
    • Benzaldehyde, 2methyl
    • 138151-99-2
    • o-Tolualdehyde, 97%
    • benzaldehyde, o-methyl-
    • ORTHO TOLUALDEHYDE
    • bmse000556
    • SCHEMBL58273
    • MLS002152916
    • CHEMBL1487138
    • BDBM85648
    • HMS3039B13
    • o-Tolualdehyde, >=96.5%, FG
    • o-Tolualdehyde, analytical standard
    • BCP26381
    • HY-Y0442
    • STR03092
    • Tox21_201764
    • Tox21_303012
    • NSC103152
    • AKOS000119537
    • CS-W008902
    • PS-4581
    • s12292
    • NCGC00091709-01
    • NCGC00091709-02
    • NCGC00256526-01
    • NCGC00259313-01
    • AC-16954
    • PD158442
    • SMR001224516
    • SY001303
    • DB-021372
    • NS00013242
    • T0566
    • EN300-20424
    • 2-Tolualdehyde, stab. with 0.1% hydroquinone
    • C07214
    • doi:10.14272/BTFQKIATRPGRBS-UHFFFAOYSA-N.1
    • Q26828655
    • F2190-0586
    • Z104478122
    • 208-452-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 204.05
    methanol 192.74
    isopropanol 127.49
    water 1.8
    ethyl acetate 543.82
    n-propanol 197.1
    acetone 309.62
    n-butanol 156.52
    acetonitrile 575.4
    DMF 450.16
    toluene 175.97
    isobutanol 113.75
    1,4-dioxane 1208.75
    methyl acetate 522.84
    THF 626.24
    2-butanone 365.7
    n-pentanol 123.79
    sec-butanol 119.19
    n-hexane 36.1
    ethylene glycol 49.67
    NMP 351.86
    cyclohexane 51.39
    DMSO 522.56
    n-butyl acetate 295.43
    n-octanol 73.84
    chloroform 1019.47
    n-propyl acetate 281.91
    acetic acid 297.12
    dichloromethane 911.29
    cyclohexanone 478.0
    propylene glycol 39.22
    isopropyl acetate 216.07
    DMAc 236.15
    2-ethoxyethanol 222.74
    isopentanol 129.85
    n-heptane 30.56
    ethyl formate 240.66
    1,2-dichloroethane 818.29
    n-hexanol 197.69
    2-methoxyethanol 317.85
    isobutyl acetate 139.89
    tetrachloromethane 150.04
    n-pentyl acetate 128.07
    transcutol 1287.48
    n-heptanol 84.2
    ethylbenzene 105.82
    MIBK 163.68
    2-propoxyethanol 320.59
    tert-butanol 187.39
    MTBE 216.01
    2-butoxyethanol 171.22
    propionic acid 317.96
    o-xylene 105.14
    formic acid 121.55
    diethyl ether 468.46
    m-xylene 109.86
    p-xylene 129.34
    chlorobenzene 317.21
    dimethyl carbonate 167.27
    n-octane 12.5
    formamide 286.09
    cyclopentanone 472.52
    2-pentanone 267.64
    anisole 267.48
    cyclopentyl methyl ether 283.97
    gamma-butyrolactone 713.6
    1-methoxy-2-propanol 221.3
    pyridine 626.09
    3-pentanone 262.55
    furfural 525.88
    n-dodecane 8.81
    diethylene glycol 213.58
    diisopropyl ether 101.42
    tert-amyl alcohol 143.06
    acetylacetone 300.54
    n-hexadecane 10.44
    acetophenone 201.5
    methyl propionate 359.19
    isopentyl acetate 220.43
    trichloroethylene 1183.52
    n-nonanol 70.88
    cyclohexanol 159.17
    benzyl alcohol 133.97
    2-ethylhexanol 117.92
    isooctanol 73.09
    dipropyl ether 206.87
    1,2-dichlorobenzene 263.28
    ethyl lactate 94.81
    propylene carbonate 329.51
    n-methylformamide 328.6
    2-pentanol 112.86
    n-pentane 26.11
    1-propoxy-2-propanol 223.44
    1-methoxy-2-propyl acetate 278.6
    2-(2-methoxypropoxy) propanol 198.29
    mesitylene 74.01
    ε-caprolactone 452.31
    p-cymene 58.62
    epichlorohydrin 823.06
    1,1,1-trichloroethane 609.45
    2-aminoethanol 108.65
    morpholine-4-carbaldehyde 544.47
    sulfolane 582.87
    2,2,4-trimethylpentane 13.36
    2-methyltetrahydrofuran 447.99
    n-hexyl acetate 177.08
    isooctane 14.63
    2-(2-butoxyethoxy)ethanol 284.85
    sec-butyl acetate 160.24
    tert-butyl acetate 222.0
    decalin 29.34
    glycerin 78.79
    diglyme 599.79
    acrylic acid 257.98
    isopropyl myristate 78.86
    n-butyric acid 318.26
    acetyl acetate 248.51
    di(2-ethylhexyl) phthalate 63.19
    ethyl propionate 261.24
    nitromethane 803.92
    1,2-diethoxyethane 458.08
    benzonitrile 220.37
    trioctyl phosphate 48.29
    1-bromopropane 348.35
    gamma-valerolactone 671.31
    n-decanol 54.55
    triethyl phosphate 100.16
    4-methyl-2-pentanol 73.14
    propionitrile 389.0
    vinylene carbonate 338.22
    1,1,2-trichlorotrifluoroethane 339.59
    DMS 211.29
    cumene 66.56
    2-octanol 50.6
    2-hexanone 249.19
    octyl acetate 94.79
    limonene 85.96
    1,2-dimethoxyethane 506.92
    ethyl orthosilicate 94.51
    tributyl phosphate 68.0
    diacetone alcohol 215.3
    N,N-dimethylaniline 130.19
    acrylonitrile 485.21
    aniline 207.96
    1,3-propanediol 147.55
    bromobenzene 317.76
    dibromomethane 565.96
    1,1,2,2-tetrachloroethane 800.59
    2-methyl-cyclohexyl acetate 144.39
    tetrabutyl urea 82.17
    diisobutyl methanol 74.51
    2-phenylethanol 173.2
    styrene 146.47
    dioctyl adipate 114.09
    dimethyl sulfate 223.74
    ethyl butyrate 226.6
    methyl lactate 110.89
    butyl lactate 91.56
    diethyl carbonate 159.57
    propanediol butyl ether 109.39
    triethyl orthoformate 145.74
    p-tert-butyltoluene 55.66
    methyl 4-tert-butylbenzoate 149.56
    morpholine 936.76
    tert-butylamine 127.04
    n-dodecanol 42.75
    dimethoxymethane 345.63
    ethylene carbonate 289.27
    cyrene 148.24
    2-ethoxyethyl acetate 240.44
    2-ethylhexyl acetate 177.12
    1,2,4-trichlorobenzene 286.71
    4-methylpyridine 418.07
    dibutyl ether 141.77
    2,6-dimethyl-4-heptanol 74.51
    DEF 335.91
    dimethyl isosorbide 347.13
    tetrachloroethylene 541.1
    eugenol 156.8
    triacetin 188.59
    span 80 142.67
    1,4-butanediol 56.33
    1,1-dichloroethane 651.42
    2-methyl-1-pentanol 109.16
    methyl formate 244.11
    2-methyl-1-butanol 114.62
    n-decane 15.24
    butyronitrile 277.47
    3,7-dimethyl-1-octanol 81.49
    1-chlorooctane 69.66
    1-chlorotetradecane 27.55
    n-nonane 14.57
    undecane 11.37
    tert-butylcyclohexane 26.0
    cyclooctane 18.06
    cyclopentanol 151.02
    tetrahydropyran 712.78
    tert-amyl methyl ether 151.29
    2,5,8-trioxanonane 372.94
    1-hexene 122.55
    2-isopropoxyethanol 171.76
    2,2,2-trifluoroethanol 138.37
    methyl butyrate 297.03

    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
Sassafras root bark (USA) 1a 8006-80-2 Sassafras albidum (Nutt.) Nees, fam. Lauraceae 0.16%
Sassafras root wood (USA) 1b 8006-80-2 Sassafras albidum (Nutt.) Nees, fam. Lauraceae 0.1%